| blob | aa47ae68ac451976d96dfcdf06a48850db6f598b |
1 [ bondedtypes ]
2 ; Column 1 : default bondtype
3 ; Column 2 : default angletype
4 ; Column 3 : default proper dihedraltype
5 ; Column 4 : default improper dihedraltype
6 ; Column 5 : This controls the generation of dihedrals from the bonding.
7 ; All possible dihedrals are generated automatically. A value of
8 ; 1 here means that all these are retained. A value of
9 ; 0 here requires generated dihedrals be removed if
10 ; * there are any dihedrals on the same central atoms
11 ; specified in the residue topology, or
12 ; * there are other identical generated dihedrals
13 ; sharing the same central atoms, or
14 ; * there are other generated dihedrals sharing the
15 ; same central bond that have fewer hydrogen atoms
16 ; Column 6 : number of neighbors to exclude from non-bonded interactions
17 ; Column 7 : 1 = generate 1,4 interactions between pairs of hydrogen atoms
18 ; 0 = do not generate such
19 ; Column 8 : 1 = remove proper dihedrals if found centered on the same
20 ; bond as an improper dihedral
21 ; 0 = do not generate such
22 ; bonds angles dihedrals impropers
23 2 2 1 2
25 [ ACE ]
26 [ atoms ]
27 CA CH3 0.000 0
28 C C 0.450 1
29 O O -0.450 1
30 [ bonds ]
31 C CA gb_27
32 C O gb_5
33 C +N gb_19
34 [ angles ]
35 CA C O ga_30
36 CA C +N ga_19
37 O C +N ga_33
38 [ impropers ]
39 C CA +N O gi_1
41 [ NH2 ]
42 [ atoms ]
43 N NT -0.83 0
44 H1 H 0.415 0
45 H2 H 0.415 0
46 [ bonds ]
47 N H1 gb_2
48 N H2 gb_2
49 -C N gb_9
50 [ angles ]
51 -O -C N ga_33
52 -CA -C N ga_19
53 -C N H1 ga_23
54 -C N H2 ga_23
55 H1 N H2 ga_24
56 [ dihedrals ]
57 -CA -C N H1 gd_14
58 [ impropers ]
59 -C -O N -CA gi_1
60 N H1 H2 -C gi_1
62 [ ALA ]
63 [ atoms ]
64 N N -0.31000 0
65 H H 0.31000 0
66 CA CH1 0.00000 1
67 CB CH3 0.00000 1
68 C C 0.450 2
69 O O -0.450 2
70 [ bonds ]
71 N H gb_2
72 N CA gb_21
73 CA CB gb_27
74 CA C gb_27
75 C O gb_5
76 C +N gb_10
77 [ angles ]
78 ; ai aj ak gromos type
79 -C N H ga_32
80 -C N CA ga_31
81 H N CA ga_18
82 N CA CB ga_13
83 N CA C ga_13
84 CB CA C ga_13
85 CA C O ga_30
86 CA C +N ga_19
87 O C +N ga_33
88 [ impropers ]
89 ; ai aj ak al gromos type
90 N -C CA H gi_1
91 CA N C CB gi_2
92 C CA +N O gi_1
93 [ dihedrals ]
94 ; ai aj ak al gromos type
95 -CA -C N CA gd_14
96 -C N CA C gd_39
97 N CA C +N gd_40
99 [ ARG ]
100 [ atoms ]
101 N N -0.31000 0
102 H H 0.31000 0
103 CA CH1 0.00000 1
104 CB CH2 0.00000 1
105 CG CH2 0.00000 1
106 CD CH2 0.09000 2
107 NE NE -0.11000 2
108 HE H 0.24000 2
109 CZ C 0.34000 2
110 NH1 NZ -0.26000 2
111 HH11 H 0.24000 2
112 HH12 H 0.24000 2
113 NH2 NZ -0.26000 2
114 HH21 H 0.24000 2
115 HH22 H 0.24000 2
116 C C 0.450 3
117 O O -0.450 3
118 [ bonds ]
119 N H gb_2
120 N CA gb_21
121 CA CB gb_27
122 CA C gb_27
123 CB CG gb_27
124 CG CD gb_27
125 CD NE gb_21
126 NE HE gb_2
127 NE CZ gb_11
128 CZ NH1 gb_11
129 CZ NH2 gb_11
130 NH1 HH11 gb_2
131 NH1 HH12 gb_2
132 NH2 HH21 gb_2
133 NH2 HH22 gb_2
134 C O gb_5
135 C +N gb_10
136 [ angles ]
137 ; ai aj ak gromos type
138 -C N H ga_32
139 -C N CA ga_31
140 H N CA ga_18
141 N CA CB ga_13
142 N CA C ga_13
143 CB CA C ga_13
144 CA CB CG ga_15
145 CB CG CD ga_15
146 CG CD NE ga_13
147 CD NE HE ga_20
148 CD NE CZ ga_33
149 HE NE CZ ga_23
150 NE CZ NH1 ga_28
151 NE CZ NH2 ga_28
152 NH1 CZ NH2 ga_28
153 CZ NH1 HH11 ga_23
154 CZ NH1 HH12 ga_23
155 HH11 NH1 HH12 ga_24
156 CZ NH2 HH21 ga_23
157 CZ NH2 HH22 ga_23
158 HH21 NH2 HH22 ga_24
159 CA C O ga_30
160 CA C +N ga_19
161 O C +N ga_33
162 [ impropers ]
163 ; ai aj ak al gromos type
164 N -C CA H gi_1
165 CA N C CB gi_2
166 NE CD CZ HE gi_1
167 CZ NH1 NH2 NE gi_1
168 NH1 HH11 HH12 CZ gi_1
169 NH2 HH21 HH22 CZ gi_1
170 C CA +N O gi_1
171 [ dihedrals ]
172 ; ai aj ak al gromos type
173 -CA -C N CA gd_14
174 -C N CA C gd_39
175 N CA CB CG gd_34
176 N CA C +N gd_40
177 CA CB CG CD gd_34
178 CB CG CD NE gd_34
179 CG CD NE CZ gd_39
180 CD NE CZ NH1 gd_14
181 NE CZ NH1 HH11 gd_14
182 NE CZ NH2 HH21 gd_14
184 [ ARGN ]
185 [ atoms ]
186 N N -0.31000 0
187 H H 0.31000 0
188 CA CH1 0.00000 1
189 CB CH2 0.00000 1
190 CG CH2 0.00000 2
191 CD CH2 0.00000 2
192 NE NE -0.31000 3
193 HE H 0.31000 3
194 CZ C 0.20800 4
195 NH1 NE -0.61100 4
196 HH1 H 0.40300 4
197 NH2 NZ -0.83000 5
198 HH21 H 0.41500 5
199 HH22 H 0.41500 5
200 C C 0.450 6
201 O O -0.450 6
202 [ bonds ]
203 N H gb_2
204 N CA gb_21
205 CA CB gb_27
206 CA C gb_27
207 CB CG gb_27
208 CG CD gb_27
209 CD NE gb_21
210 NE HE gb_2
211 NE CZ gb_11
212 CZ NH1 gb_11
213 CZ NH2 gb_11
214 NH1 HH1 gb_2
215 NH2 HH21 gb_2
216 NH2 HH22 gb_2
217 C O gb_5
218 C +N gb_10
219 [ angles ]
220 ; ai aj ak gromos type
221 -C N H ga_32
222 -C N CA ga_31
223 H N CA ga_18
224 N CA CB ga_13
225 N CA C ga_13
226 CB CA C ga_13
227 CA CB CG ga_15
228 CB CG CD ga_15
229 CG CD NE ga_13
230 CD NE HE ga_20
231 CD NE CZ ga_33
232 HE NE CZ ga_23
233 NE CZ NH1 ga_28
234 NE CZ NH2 ga_28
235 NH1 CZ NH2 ga_28
236 CZ NH1 HH1 ga_23
237 CZ NH2 HH21 ga_23
238 CZ NH2 HH22 ga_23
239 HH21 NH2 HH22 ga_24
240 CA C O ga_30
241 CA C +N ga_19
242 O C +N ga_33
243 [ impropers ]
244 ; ai aj ak al gromos type
245 N -C CA H gi_1
246 CA N C CB gi_2
247 NE CD CZ HE gi_1
248 CZ NH1 NH2 NE gi_1
249 NH2 HH21 HH22 CZ gi_1
250 C CA +N O gi_1
251 [ dihedrals ]
252 ; ai aj ak al gromos type
253 -CA -C N CA gd_14
254 -C N CA C gd_39
255 N CA CB CG gd_34
256 N CA C +N gd_40
257 CA CB CG CD gd_34
258 CB CG CD NE gd_34
259 CG CD NE CZ gd_39
260 CD NE CZ NH1 gd_14
261 NE CZ NH1 HH1 gd_14
262 NE CZ NH2 HH21 gd_14
264 [ ASN ]
265 [ atoms ]
266 N N -0.31000 0
267 H H 0.31000 0
268 CA CH1 0.00000 1
269 CB CH2 0.00000 1
270 CG C 0.45000 2
271 OD1 O -0.45000 2
272 ND2 NT -0.83000 3
273 HD21 H 0.41500 3
274 HD22 H 0.41500 3
275 C C 0.450 4
276 O O -0.450 4
277 [ bonds ]
278 N H gb_2
279 N CA gb_21
280 CA CB gb_27
281 CA C gb_27
282 CB CG gb_27
283 CG OD1 gb_5
284 CG ND2 gb_9
285 ND2 HD21 gb_2
286 ND2 HD22 gb_2
287 C O gb_5
288 C +N gb_10
289 [ angles ]
290 ; ai aj ak gromos type
291 -C N H ga_32
292 -C N CA ga_31
293 H N CA ga_18
294 N CA CB ga_13
295 N CA C ga_13
296 CB CA C ga_13
297 CA CB CG ga_15
298 CB CG OD1 ga_30
299 CB CG ND2 ga_19
300 OD1 CG ND2 ga_33
301 CG ND2 HD21 ga_23
302 CG ND2 HD22 ga_23
303 HD21 ND2 HD22 ga_24
304 CA C O ga_30
305 CA C +N ga_19
306 O C +N ga_33
307 [ impropers ]
308 ; ai aj ak al gromos type
309 N -C CA H gi_1
310 CA N C CB gi_2
311 CG OD1 ND2 CB gi_1
312 ND2 HD21 HD22 CG gi_1
313 C CA +N O gi_1
314 [ dihedrals ]
315 ; ai aj ak al gromos type
316 -CA -C N CA gd_14
317 -C N CA C gd_39
318 N CA CB CG gd_34
319 N CA C +N gd_40
320 CA CB CG ND2 gd_40
321 CB CG ND2 HD21 gd_14
323 [ ASN1 ]
324 [ atoms ]
325 N N -0.31000 0
326 H H 0.31000 0
327 CA CH1 0.00000 1
328 CB CH2 0.00000 1
329 CG C 0.45000 2
330 OD1 O -0.45000 2
331 ND2 NL -0.83000 3
332 HD21 H 0.41500 3
333 HD22 H 0.41500 3
334 C C 0.450 4
335 O O -0.450 4
336 [ bonds ]
337 N H gb_2
338 N CA gb_21
339 CA CB gb_27
340 CA C gb_27
341 CB CG gb_27
342 CG OD1 gb_5
343 CG ND2 gb_9
344 ND2 HD21 gb_2
345 ND2 HD22 gb_2
346 C O gb_5
347 C +N gb_10
348 [ angles ]
349 ; ai aj ak gromos type
350 -C N H ga_32
351 -C N CA ga_31
352 H N CA ga_18
353 N CA CB ga_13
354 N CA C ga_13
355 CB CA C ga_13
356 CA CB CG ga_15
357 CB CG OD1 ga_30
358 CB CG ND2 ga_19
359 OD1 CG ND2 ga_33
360 CG ND2 HD21 ga_23
361 CG ND2 HD22 ga_23
362 HD21 ND2 HD22 ga_24
363 CA C O ga_30
364 CA C +N ga_19
365 O C +N ga_33
366 [ impropers ]
367 ; ai aj ak al gromos type
368 N -C CA H gi_1
369 CA N C CB gi_2
370 CG OD1 ND2 CB gi_1
371 ND2 HD21 HD22 CG gi_1
372 C CA +N O gi_1
373 [ dihedrals ]
374 ; ai aj ak al gromos type
375 -CA -C N CA gd_14
376 -C N CA C gd_39
377 N CA CB CG gd_34
378 N CA C +N gd_40
379 CA CB CG ND2 gd_40
380 CB CG ND2 HD21 gd_14
382 [ ASP ]
383 [ atoms ]
384 N N -0.31000 0
385 H H 0.31000 0
386 CA CH1 0.00000 1
387 CB CH2 0.00000 1
388 CG C 0.27000 2
389 OD1 OM -0.63500 2
390 OD2 OM -0.63500 2
391 C C 0.450 3
392 O O -0.450 3
393 [ bonds ]
394 N H gb_2
395 N CA gb_21
396 CA CB gb_27
397 CA C gb_27
398 CB CG gb_27
399 CG OD1 gb_6
400 CG OD2 gb_6
401 C O gb_5
402 C +N gb_10
403 [ angles ]
404 ; ai aj ak gromos type
405 -C N H ga_32
406 -C N CA ga_31
407 H N CA ga_18
408 N CA CB ga_13
409 N CA C ga_13
410 CB CA C ga_13
411 CA CB CG ga_15
412 CB CG OD1 ga_22
413 CB CG OD2 ga_22
414 OD1 CG OD2 ga_38
415 CA C O ga_30
416 CA C +N ga_19
417 O C +N ga_33
418 [ impropers ]
419 ; ai aj ak al gromos type
420 N -C CA H gi_1
421 CA N C CB gi_2
422 CG OD1 OD2 CB gi_1
423 C CA +N O gi_1
424 [ dihedrals ]
425 ; ai aj ak al gromos type
426 -CA -C N CA gd_14
427 -C N CA C gd_39
428 N CA CB CG gd_34
429 N CA C +N gd_40
430 CA CB CG OD1 gd_40
432 [ ASPH ]
433 [ atoms ]
434 N N -0.31000 0
435 H H 0.31000 0
436 CA CH1 0.00000 1
437 CB CH2 0.00000 1
438 CG C 0.65800 2
439 OD1 O -0.45000 2
440 OD2 OA -0.61100 2
441 HD2 H 0.40300 2
442 C C 0.450 3
443 O O -0.450 3
444 [ bonds ]
445 N H gb_2
446 N CA gb_21
447 CA CB gb_27
448 CA C gb_27
449 CB CG gb_27
450 CG OD1 gb_5
451 CG OD2 gb_13
452 OD2 HD2 gb_1
453 C O gb_5
454 C +N gb_10
455 [ angles ]
456 ; ai aj ak gromos type
457 -C N H ga_32
458 -C N CA ga_31
459 H N CA ga_18
460 N CA CB ga_13
461 N CA C ga_13
462 CB CA C ga_13
463 CA CB CG ga_15
464 CB CG OD1 ga_30
465 CB CG OD2 ga_19
466 OD1 CG OD2 ga_33
467 CG OD2 HD2 ga_12
468 CA C O ga_30
469 CA C +N ga_19
470 O C +N ga_33
471 [ impropers ]
472 ; ai aj ak al gromos type
473 N -C CA H gi_1
474 CA N C CB gi_2
475 CG OD1 OD2 CB gi_1
476 C CA +N O gi_1
477 [ dihedrals ]
478 ; ai aj ak al gromos type
479 -CA -C N CA gd_14
480 -C N CA C gd_39
481 N CA CB CG gd_34
482 N CA C +N gd_40
483 CA CB CG OD2 gd_40
484 CB CG OD2 HD2 gd_12
486 [ CYS ]
487 [ atoms ]
488 N N -0.31000 0
489 H H 0.31000 0
490 CA CH1 0.00000 1
491 CB CH2 -0.10000 2
492 SG S -0.40000 2
493 C C 0.450 3
494 O O -0.450 3
495 [ bonds ]
496 N H gb_2
497 N CA gb_21
498 CA CB gb_27
499 CA C gb_27
500 CB SG gb_32
501 C O gb_5
502 C +N gb_10
503 [ angles ]
504 ; ai aj ak gromos type
505 -C N H ga_32
506 -C N CA ga_31
507 H N CA ga_18
508 N CA CB ga_13
509 N CA C ga_13
510 CB CA C ga_13
511 CA CB SG ga_16
512 CA C O ga_30
513 CA C +N ga_19
514 O C +N ga_33
515 [ impropers ]
516 ; ai aj ak al gromos type
517 N -C CA H gi_1
518 CA N C CB gi_2
519 C CA +N O gi_1
520 [ dihedrals ]
521 ; ai aj ak al gromos type
522 -CA -C N CA gd_14
523 -C N CA C gd_39
524 N CA CB SG gd_34
525 N CA C +N gd_40
527 [ CYSH ]
528 [ atoms ]
529 N N -0.31000 0
530 H H 0.31000 0
531 CA CH1 0.00000 1
532 CB CH2 0.15000 2
533 SG S -0.35000 2
534 HG H 0.20000 2
535 C C 0.450 3
536 O O -0.450 3
537 [ bonds ]
538 N H gb_2
539 N CA gb_21
540 CA CB gb_27
541 CA C gb_27
542 CB SG gb_32
543 SG HG gb_8
544 C O gb_5
545 C +N gb_10
546 [ angles ]
547 ; ai aj ak gromos type
548 -C N H ga_32
549 -C N CA ga_31
550 H N CA ga_18
551 N CA CB ga_13
552 N CA C ga_13
553 CB CA C ga_13
554 CA CB SG ga_16
555 CB SG HG ga_3
556 CA C O ga_30
557 CA C +N ga_19
558 O C +N ga_33
559 [ impropers ]
560 ; ai aj ak al gromos type
561 N -C CA H gi_1
562 CA N C CB gi_2
563 C CA +N O gi_1
564 [ dihedrals ]
565 ; ai aj ak al gromos type
566 -CA -C N CA gd_14
567 -C N CA C gd_39
568 N CA CB SG gd_34
569 N CA C +N gd_40
570 CA CB SG HG gd_26
572 [ CYS1 ]
573 [ atoms ]
574 N N -0.31000 0
575 H H 0.31000 0
576 CA CH1 0.00000 1
577 CB CH2 0.00000 1
578 SG S 0.00000 1
579 C C 0.450 2
580 O O -0.450 2
581 [ bonds ]
582 N H gb_2
583 N CA gb_21
584 CA CB gb_27
585 CA C gb_27
586 CB SG gb_32
587 C O gb_5
588 C +N gb_10
589 [ angles ]
590 ; ai aj ak gromos type
591 -C N H ga_32
592 -C N CA ga_31
593 H N CA ga_18
594 N CA CB ga_13
595 N CA C ga_13
596 CB CA C ga_13
597 CA CB SG ga_16
598 CA C O ga_30
599 CA C +N ga_19
600 O C +N ga_33
601 [ impropers ]
602 ; ai aj ak al gromos type
603 N -C CA H gi_1
604 CA N C CB gi_2
605 C CA +N O gi_1
606 [ dihedrals ]
607 ; ai aj ak al gromos type
608 -CA -C N CA gd_14
609 -C N CA C gd_39
610 N CA CB SG gd_34
611 N CA C +N gd_40
613 [ CYS2 ]
614 [ atoms ]
615 N N -0.31000 0
616 H H 0.31000 0
617 CA CH1 0.00000 1
618 CB CH2 0.00000 1
619 SG S 0.00000 1
620 C C 0.450 2
621 O O -0.450 2
622 [ bonds ]
623 N H gb_2
624 N CA gb_21
625 CA CB gb_27
626 CA C gb_27
627 CB SG gb_32
628 C O gb_5
629 C +N gb_10
630 [ angles ]
631 ; ai aj ak gromos type
632 -C N H ga_32
633 -C N CA ga_31
634 H N CA ga_18
635 N CA CB ga_13
636 N CA C ga_13
637 CB CA C ga_13
638 CA CB SG ga_16
639 CA C O ga_30
640 CA C +N ga_19
641 O C +N ga_33
642 [ impropers ]
643 ; ai aj ak al gromos type
644 N -C CA H gi_1
645 CA N C CB gi_2
646 C CA +N O gi_1
647 [ dihedrals ]
648 ; ai aj ak al gromos type
649 -CA -C N CA gd_14
650 -C N CA C gd_39
651 N CA CB SG gd_34
652 N CA C +N gd_40
654 [ GLN ]
655 [ atoms ]
656 N N -0.31000 0
657 H H 0.31000 0
658 CA CH1 0.00000 1
659 CB CH2 0.00000 1
660 CG CH2 0.00000 1
661 CD C 0.45000 2
662 OE1 O -0.45000 2
663 NE2 NT -0.83000 3
664 HE21 H 0.41500 3
665 HE22 H 0.41500 3
666 C C 0.450 4
667 O O -0.450 4
668 [ bonds ]
669 N H gb_2
670 N CA gb_21
671 CA CB gb_27
672 CA C gb_27
673 CB CG gb_27
674 CG CD gb_27
675 CD OE1 gb_5
676 CD NE2 gb_9
677 NE2 HE21 gb_2
678 NE2 HE22 gb_2
679 C O gb_5
680 C +N gb_10
681 [ angles ]
682 ; ai aj ak gromos type
683 -C N H ga_32
684 -C N CA ga_31
685 H N CA ga_18
686 N CA CB ga_13
687 N CA C ga_13
688 CB CA C ga_13
689 CA CB CG ga_15
690 CB CG CD ga_15
691 CG CD OE1 ga_30
692 CG CD NE2 ga_19
693 OE1 CD NE2 ga_33
694 CD NE2 HE21 ga_23
695 CD NE2 HE22 ga_23
696 HE21 NE2 HE22 ga_24
697 CA C O ga_30
698 CA C +N ga_19
699 O C +N ga_33
700 [ impropers ]
701 ; ai aj ak al gromos type
702 N -C CA H gi_1
703 CA N C CB gi_2
704 CD OE1 NE2 CG gi_1
705 NE2 HE21 HE22 CD gi_1
706 C CA +N O gi_1
707 [ dihedrals ]
708 ; ai aj ak al gromos type
709 -CA -C N CA gd_14
710 -C N CA C gd_39
711 N CA CB CG gd_34
712 N CA C +N gd_40
713 CA CB CG CD gd_34
714 CB CG CD NE2 gd_40
715 CG CD NE2 HE21 gd_14
717 [ GLU ]
718 [ atoms ]
719 N N -0.31000 0
720 H H 0.31000 0
721 CA CH1 0.00000 1
722 CB CH2 0.00000 1
723 CG CH2 0.00000 1
724 CD C 0.27000 2
725 OE1 OM -0.63500 2
726 OE2 OM -0.63500 2
727 C C 0.450 3
728 O O -0.450 3
729 [ bonds ]
730 N H gb_2
731 N CA gb_21
732 CA CB gb_27
733 CA C gb_27
734 CB CG gb_27
735 CG CD gb_27
736 CD OE1 gb_6
737 CD OE2 gb_6
738 C O gb_5
739 C +N gb_10
740 [ angles ]
741 ; ai aj ak gromos type
742 -C N H ga_32
743 -C N CA ga_31
744 H N CA ga_18
745 N CA CB ga_13
746 N CA C ga_13
747 CB CA C ga_13
748 CA CB CG ga_15
749 CB CG CD ga_15
750 CG CD OE1 ga_22
751 CG CD OE2 ga_22
752 OE1 CD OE2 ga_38
753 CA C O ga_30
754 CA C +N ga_19
755 O C +N ga_33
756 [ impropers ]
757 ; ai aj ak al gromos type
758 N -C CA H gi_1
759 CA N C CB gi_2
760 CD OE1 OE2 CG gi_1
761 C CA +N O gi_1
762 [ dihedrals ]
763 ; ai aj ak al gromos type
764 -CA -C N CA gd_14
765 -C N CA C gd_39
766 N CA CB CG gd_34
767 N CA C +N gd_40
768 CA CB CG CD gd_34
769 CB CG CD OE2 gd_40
771 [ GLUH ]
772 [ atoms ]
773 N N -0.31000 0
774 H H 0.31000 0
775 CA CH1 0.00000 1
776 CB CH2 0.00000 1
777 CG CH2 0.00000 1
778 CD C 0.65800 2
779 OE1 O -0.45000 2
780 OE2 OA -0.61100 2
781 HE2 H 0.40300 2
782 C C 0.450 3
783 O O -0.450 3
784 [ bonds ]
785 N H gb_2
786 N CA gb_21
787 CA CB gb_27
788 CA C gb_27
789 CB CG gb_27
790 CG CD gb_27
791 CD OE1 gb_5
792 CD OE2 gb_13
793 OE2 HE2 gb_1
794 C O gb_5
795 C +N gb_10
796 [ angles ]
797 ; ai aj ak gromos type
798 -C N H ga_32
799 -C N CA ga_31
800 H N CA ga_18
801 N CA CB ga_13
802 N CA C ga_13
803 CB CA C ga_13
804 CA CB CG ga_15
805 CB CG CD ga_15
806 CG CD OE1 ga_30
807 CG CD OE2 ga_19
808 OE1 CD OE2 ga_33
809 CD OE2 HE2 ga_12
810 CA C O ga_30
811 CA C +N ga_19
812 O C +N ga_33
813 [ impropers ]
814 ; ai aj ak al gromos type
815 N -C CA H gi_1
816 CA N C CB gi_2
817 CD OE1 OE2 CG gi_1
818 C CA +N O gi_1
819 [ dihedrals ]
820 ; ai aj ak al gromos type
821 -CA -C N CA gd_14
822 -C N CA C gd_39
823 N CA CB CG gd_34
824 N CA C +N gd_40
825 CA CB CG CD gd_34
826 CB CG CD OE2 gd_40
827 CG CD OE2 HE2 gd_12
829 [ GLY ]
830 [ atoms ]
831 N N -0.31000 0
832 H H 0.31000 0
833 CA CH2 0.00000 1
834 C C 0.450 2
835 O O -0.450 2
836 [ bonds ]
837 N H gb_2
838 N CA gb_21
839 CA C gb_27
840 C O gb_5
841 C +N gb_10
842 [ angles ]
843 ; ai aj ak gromos type
844 -C N H ga_32
845 -C N CA ga_31
846 H N CA ga_18
847 N CA C ga_13
848 CA C O ga_30
849 CA C +N ga_19
850 O C +N ga_33
851 [ impropers ]
852 ; ai aj ak al gromos type
853 N -C CA H gi_1
854 C CA +N O gi_1
855 [ dihedrals ]
856 ; ai aj ak al gromos type
857 -CA -C N CA gd_14
858 -C N CA C gd_39
859 N CA C +N gd_40
861 [ HISA ]
862 [ atoms ]
863 N N -0.31000 0
864 H H 0.31000 0
865 CA CH1 0.00000 1
866 CB CH2 0.00000 1
867 CG C 0.00000 2
868 ND1 NR -0.31000 2
869 HD1 H 0.31000 2
870 CD2 C 0.17000 2
871 HD2 HC 0.10000 2
872 CE1 C 0.17000 2
873 HE1 HC 0.10000 2
874 NE2 NR -0.54000 2
875 C C 0.450 3
876 O O -0.450 3
877 [ bonds ]
878 N H gb_2
879 N CA gb_21
880 CA CB gb_27
881 CA C gb_27
882 CB CG gb_27
883 CG ND1 gb_10
884 CG CD2 gb_10
885 ND1 HD1 gb_2
886 ND1 CE1 gb_10
887 CD2 HD2 gb_3
888 CD2 NE2 gb_10
889 CE1 HE1 gb_3
890 CE1 NE2 gb_10
891 C O gb_5
892 C +N gb_10
893 [ exclusions ]
894 ; ai aj
895 CB HD1
896 CB HD2
897 CB CE1
898 CB NE2
899 CG HE1
900 ND1 HD2
901 HD1 CD2
902 HD1 HE1
903 HD1 NE2
904 CD2 HE1
905 HD2 CE1
906 [ angles ]
907 ; ai aj ak gromos type
908 -C N H ga_32
909 -C N CA ga_31
910 H N CA ga_18
911 N CA CB ga_13
912 N CA C ga_13
913 CB CA C ga_13
914 CA CB CG ga_15
915 CB CG ND1 ga_37
916 CB CG CD2 ga_37
917 ND1 CG CD2 ga_7
918 CG ND1 HD1 ga_36
919 CG ND1 CE1 ga_7
920 HD1 ND1 CE1 ga_36
921 CG CD2 HD2 ga_36
922 CG CD2 NE2 ga_7
923 HD2 CD2 NE2 ga_36
924 ND1 CE1 HE1 ga_36
925 ND1 CE1 NE2 ga_7
926 HE1 CE1 NE2 ga_36
927 CD2 NE2 CE1 ga_7
928 CA C O ga_30
929 CA C +N ga_19
930 O C +N ga_33
931 [ impropers ]
932 ; ai aj ak al gromos type
933 N -C CA H gi_1
934 CA N C CB gi_2
935 CG ND1 CD2 CB gi_1
936 CG ND1 CE1 NE2 gi_1
937 CG CD2 NE2 CE1 gi_1
938 ND1 CG CD2 NE2 gi_1
939 ND1 CG CE1 HD1 gi_1
940 ND1 CE1 NE2 CD2 gi_1
941 CD2 CG ND1 CE1 gi_1
942 CD2 CG NE2 HD2 gi_1
943 CE1 ND1 NE2 HE1 gi_1
944 C CA +N O gi_1
945 [ dihedrals ]
946 ; ai aj ak al gromos type
947 -CA -C N CA gd_14
948 -C N CA C gd_39
949 N CA CB CG gd_34
950 N CA C +N gd_40
951 CA CB CG ND1 gd_40
953 [ HISB ]
954 [ atoms ]
955 N N -0.31000 0
956 H H 0.31000 0
957 CA CH1 0.00000 1
958 CB CH2 0.00000 1
959 CG C 0.00000 2
960 ND1 NR -0.54000 2
961 CD2 C 0.17000 2
962 HD2 HC 0.10000 2
963 CE1 C 0.17000 2
964 HE1 HC 0.10000 2
965 NE2 NR -0.31000 2
966 HE2 H 0.31000 2
967 C C 0.450 3
968 O O -0.450 3
969 [ bonds ]
970 N H gb_2
971 N CA gb_21
972 CA CB gb_27
973 CA C gb_27
974 CB CG gb_27
975 CG ND1 gb_10
976 CG CD2 gb_10
977 ND1 CE1 gb_10
978 CD2 HD2 gb_3
979 CD2 NE2 gb_10
980 CE1 HE1 gb_3
981 CE1 NE2 gb_10
982 NE2 HE2 gb_2
983 C O gb_5
984 C +N gb_10
985 [ exclusions ]
986 ; ai aj
987 CB HD2
988 CB CE1
989 CB NE2
990 CG HE1
991 CG HE2
992 ND1 HD2
993 ND1 HE2
994 CD2 HE1
995 HD2 CE1
996 HD2 HE2
997 HE1 HE2
998 [ angles ]
999 ; ai aj ak gromos type
1000 -C N H ga_32
1001 -C N CA ga_31
1002 H N CA ga_18
1003 N CA CB ga_13
1004 N CA C ga_13
1005 CB CA C ga_13
1006 CA CB CG ga_15
1007 CB CG ND1 ga_37
1008 CB CG CD2 ga_37
1009 ND1 CG CD2 ga_7
1010 CG ND1 CE1 ga_7
1011 CG CD2 HD2 ga_36
1012 CG CD2 NE2 ga_7
1013 HD2 CD2 NE2 ga_36
1014 ND1 CE1 HE1 ga_36
1015 ND1 CE1 NE2 ga_7
1016 HE1 CE1 NE2 ga_36
1017 CD2 NE2 CE1 ga_7
1018 CD2 NE2 HE2 ga_36
1019 CE1 NE2 HE2 ga_36
1020 CA C O ga_30
1021 CA C +N ga_19
1022 O C +N ga_33
1023 [ impropers ]
1024 ; ai aj ak al gromos type
1025 N -C CA H gi_1
1026 CA N C CB gi_2
1027 CG ND1 CD2 CB gi_1
1028 CG ND1 CE1 NE2 gi_1
1029 CG CD2 NE2 CE1 gi_1
1030 ND1 CG CD2 NE2 gi_1
1031 ND1 CE1 NE2 CD2 gi_1
1032 CD2 CG ND1 CE1 gi_1
1033 CD2 CG NE2 HD2 gi_1
1034 CE1 ND1 NE2 HE1 gi_1
1035 NE2 CD2 CE1 HE2 gi_1
1036 C CA +N O gi_1
1037 [ dihedrals ]
1038 ; ai aj ak al gromos type
1039 -CA -C N CA gd_14
1040 -C N CA C gd_39
1041 N CA CB CG gd_34
1042 N CA C +N gd_40
1043 CA CB CG ND1 gd_40
1045 [ HISH ]
1046 [ atoms ]
1047 N N -0.31000 0
1048 H H 0.31000 0
1049 CA CH1 0.00000 1
1050 CB CH2 0.00000 1
1051 CG C -0.05000 2
1052 ND1 NR 0.38000 2
1053 HD1 H 0.30000 2
1054 CD2 C -0.10000 2
1055 HD2 HC 0.10000 2
1056 CE1 C -0.34000 2
1057 HE1 HC 0.10000 2
1058 NE2 NR 0.31000 2
1059 HE2 H 0.30000 2
1060 C C 0.450 3
1061 O O -0.450 3
1062 [ bonds ]
1063 N H gb_2
1064 N CA gb_21
1065 CA CB gb_27
1066 CA C gb_27
1067 CB CG gb_27
1068 CG ND1 gb_10
1069 CG CD2 gb_10
1070 ND1 HD1 gb_2
1071 ND1 CE1 gb_10
1072 CD2 HD2 gb_3
1073 CD2 NE2 gb_10
1074 CE1 HE1 gb_3
1075 CE1 NE2 gb_10
1076 NE2 HE2 gb_2
1077 C O gb_5
1078 C +N gb_10
1079 [ exclusions ]
1080 ; ai aj
1081 CB HD1
1082 CB HD2
1083 CB CE1
1084 CB NE2
1085 CG HE1
1086 CG HE2
1087 ND1 HD2
1088 ND1 HE2
1089 HD1 CD2
1090 HD1 HE1
1091 HD1 NE2
1092 CD2 HE1
1093 HD2 CE1
1094 HD2 HE2
1095 HE1 HE2
1096 [ angles ]
1097 ; ai aj ak gromos type
1098 -C N H ga_32
1099 -C N CA ga_31
1100 H N CA ga_18
1101 N CA CB ga_13
1102 N CA C ga_13
1103 CB CA C ga_13
1104 CA CB CG ga_15
1105 CB CG ND1 ga_37
1106 CB CG CD2 ga_37
1107 ND1 CG CD2 ga_7
1108 CG ND1 HD1 ga_36
1109 CG ND1 CE1 ga_7
1110 HD1 ND1 CE1 ga_36
1111 CG CD2 HD2 ga_36
1112 CG CD2 NE2 ga_7
1113 HD2 CD2 NE2 ga_36
1114 ND1 CE1 HE1 ga_36
1115 ND1 CE1 NE2 ga_7
1116 HE1 CE1 NE2 ga_36
1117 CD2 NE2 CE1 ga_7
1118 CD2 NE2 HE2 ga_36
1119 CE1 NE2 HE2 ga_36
1120 CA C O ga_30
1121 CA C +N ga_19
1122 O C +N ga_33
1123 [ impropers ]
1124 ; ai aj ak al gromos type
1125 N -C CA H gi_1
1126 CA N C CB gi_2
1127 CG ND1 CD2 CB gi_1
1128 CG ND1 CE1 NE2 gi_1
1129 CG CD2 NE2 CE1 gi_1
1130 ND1 CG CD2 NE2 gi_1
1131 ND1 CG CE1 HD1 gi_1
1132 ND1 CE1 NE2 CD2 gi_1
1133 CD2 CG ND1 CE1 gi_1
1134 CD2 CG NE2 HD2 gi_1
1135 CE1 ND1 NE2 HE1 gi_1
1136 NE2 CD2 CE1 HE2 gi_1
1137 C CA +N O gi_1
1138 [ dihedrals ]
1139 ; ai aj ak al gromos type
1140 -CA -C N CA gd_14
1141 -C N CA C gd_39
1142 N CA CB CG gd_34
1143 N CA C +N gd_40
1144 CA CB CG ND1 gd_40
1146 [ HIS1 ]
1147 [ atoms ]
1148 N N -0.31000 0
1149 H H 0.31000 0
1150 CA CH1 0.00000 1
1151 CB CH2 0.00000 1
1152 CG C 0.00000 2
1153 ND1 NR -0.31000 2
1154 HD1 H 0.31000 2
1155 CD2 C 0.17000 2
1156 HD2 HC 0.10000 2
1157 CE1 C 0.17000 2
1158 HE1 HC 0.10000 2
1159 NE2 NR -0.54000 2
1160 C C 0.450 3
1161 O O -0.450 3
1162 [ bonds ]
1163 N H gb_2
1164 N CA gb_21
1165 CA CB gb_27
1166 CA C gb_27
1167 CB CG gb_27
1168 CG ND1 gb_10
1169 CG CD2 gb_10
1170 ND1 HD1 gb_2
1171 ND1 CE1 gb_10
1172 CD2 HD2 gb_3
1173 CD2 NE2 gb_10
1174 CE1 HE1 gb_3
1175 CE1 NE2 gb_10
1176 C O gb_5
1177 C +N gb_10
1178 [ exclusions ]
1179 ; ai aj
1180 CB HD1
1181 CB HD2
1182 CB CE1
1183 CB NE2
1184 CG HE1
1185 ND1 HD2
1186 HD1 CD2
1187 HD1 HE1
1188 HD1 NE2
1189 CD2 HE1
1190 HD2 CE1
1191 [ angles ]
1192 ; ai aj ak gromos type
1193 -CA -C NE2 ga_2
1194 -C N H ga_32
1195 -C N CA ga_31
1196 H N CA ga_18
1197 N CA CB ga_13
1198 N CA C ga_13
1199 CB CA C ga_13
1200 CA CB CG ga_15
1201 CB CG ND1 ga_37
1202 CB CG CD2 ga_37
1203 ND1 CG CD2 ga_7
1204 CG ND1 HD1 ga_36
1205 CG ND1 CE1 ga_7
1206 HD1 ND1 CE1 ga_36
1207 CG CD2 HD2 ga_36
1208 CG CD2 NE2 ga_7
1209 HD2 CD2 NE2 ga_36
1210 ND1 CE1 HE1 ga_36
1211 ND1 CE1 NE2 ga_7
1212 HE1 CE1 NE2 ga_36
1213 -C NE2 CD2 ga_34
1214 -C NE2 CE1 ga_34
1215 CD2 NE2 CE1 ga_7
1216 CA C O ga_30
1217 CA C +N ga_19
1218 O C +N ga_33
1219 [ impropers ]
1220 ; ai aj ak al gromos type
1221 N -C CA H gi_1
1222 CA N C CB gi_2
1223 CG ND1 CD2 CB gi_1
1224 CG ND1 CE1 NE2 gi_1
1225 CG CD2 NE2 CE1 gi_1
1226 ND1 CG CD2 NE2 gi_1
1227 ND1 CG CE1 HD1 gi_1
1228 ND1 CE1 NE2 CD2 gi_1
1229 CD2 CG ND1 CE1 gi_1
1230 CD2 CG NE2 HD2 gi_1
1231 CE1 ND1 NE2 HE1 gi_1
1232 C CA +N O gi_1
1233 [ dihedrals ]
1234 ; ai aj ak al gromos type
1235 -CA -C N CA gd_14
1236 -CA -C NE2 CD2 gd_38
1237 -C N CA C gd_39
1238 N CA CB CG gd_34
1239 N CA C +N gd_40
1240 CA CB CG ND1 gd_40
1242 [ HIS2 ]
1243 [ atoms ]
1244 N N -0.31000 0
1245 H H 0.31000 0
1246 CA CH1 0.00000 1
1247 CB CH2 0.00000 1
1248 CG C 0.00000 2
1249 ND1 NR -0.31000 2
1250 HD1 H 0.31000 2
1251 CD2 C 0.17000 2
1252 HD2 HC 0.10000 2
1253 CE1 C 0.17000 2
1254 HE1 HC 0.10000 2
1255 NE2 NR -0.54000 2
1256 C C 0.450 3
1257 O O -0.450 3
1258 [ bonds ]
1259 N H gb_2
1260 N CA gb_21
1261 CA CB gb_27
1262 CA C gb_27
1263 CB CG gb_27
1264 CG ND1 gb_10
1265 CG CD2 gb_10
1266 ND1 HD1 gb_2
1267 ND1 CE1 gb_10
1268 CD2 HD2 gb_3
1269 CD2 NE2 gb_10
1270 CE1 HE1 gb_3
1271 CE1 NE2 gb_10
1272 C O gb_5
1273 C +N gb_10
1274 [ exclusions ]
1275 ; ai aj
1276 CB HD1
1277 CB HD2
1278 CB CE1
1279 CB NE2
1280 CG HE1
1281 ND1 HD2
1282 HD1 CD2
1283 HD1 HE1
1284 HD1 NE2
1285 CD2 HE1
1286 HD2 CE1
1287 [ angles ]
1288 ; ai aj ak gromos type
1289 -CA -C NE2 ga_2
1290 -C N H ga_32
1291 -C N CA ga_31
1292 H N CA ga_18
1293 N CA CB ga_13
1294 N CA C ga_13
1295 CB CA C ga_13
1296 CA CB CG ga_15
1297 CB CG ND1 ga_37
1298 CB CG CD2 ga_37
1299 ND1 CG CD2 ga_7
1300 CG ND1 HD1 ga_36
1301 CG ND1 CE1 ga_7
1302 HD1 ND1 CE1 ga_36
1303 CG CD2 HD2 ga_36
1304 CG CD2 NE2 ga_7
1305 HD2 CD2 NE2 ga_36
1306 ND1 CE1 HE1 ga_36
1307 ND1 CE1 NE2 ga_7
1308 HE1 CE1 NE2 ga_36
1309 -C NE2 CD2 ga_34
1310 -C NE2 CE1 ga_34
1311 CD2 NE2 CE1 ga_7
1312 CA C O ga_30
1313 CA C +N ga_19
1314 O C +N ga_33
1315 [ impropers ]
1316 ; ai aj ak al gromos type
1317 N -C CA H gi_1
1318 CA N C CB gi_2
1319 CG ND1 CD2 CB gi_1
1320 CG ND1 CE1 NE2 gi_1
1321 CG CD2 NE2 CE1 gi_1
1322 ND1 CG CD2 NE2 gi_1
1323 ND1 CG CE1 HD1 gi_1
1324 ND1 CE1 NE2 CD2 gi_1
1325 CD2 CG ND1 CE1 gi_1
1326 CD2 CG NE2 HD2 gi_1
1327 CE1 ND1 NE2 HE1 gi_1
1328 C CA +N O gi_1
1329 [ dihedrals ]
1330 ; ai aj ak al gromos type
1331 -CA -C N CA gd_14
1332 -CA -C NE2 CD2 gd_38
1333 -C N CA C gd_39
1334 N CA CB CG gd_34
1335 N CA C +N gd_40
1336 CA CB CG ND1 gd_40
1338 [ HYP ]
1339 [ atoms ]
1340 N N 0.00000 0
1341 CA CH1 0.00000 1
1342 CB CH2r 0.00000 1
1343 CG CH1 0.20800 2
1344 OD1 OA -0.61100 2
1345 HD1 H 0.40300 2
1346 CD2 CH2r 0.00000 3
1347 C C 0.450 4
1348 O O -0.450 4
1349 [ bonds ]
1350 N CA gb_21
1351 N CD2 gb_21
1352 CA CB gb_27
1353 CA C gb_27
1354 CB CG gb_27
1355 CG OD1 gb_18
1356 CG CD2 gb_27
1357 OD1 HD1 gb_1
1358 C O gb_5
1359 C +N gb_10
1360 [ angles ]
1361 ; ai aj ak gromos type
1362 -C N CA ga_31
1363 -C N CD2 ga_31
1364 CA N CD2 ga_21
1365 N CA CB ga_13
1366 N CA C ga_13
1367 CB CA C ga_13
1368 CA CB CG ga_13
1369 CB CG OD1 ga_13
1370 CB CG CD2 ga_13
1371 OD1 CG CD2 ga_13
1372 CG OD1 HD1 ga_12
1373 N CD2 CG ga_13
1374 CA C O ga_30
1375 CA C +N ga_19
1376 O C +N ga_33
1377 [ impropers ]
1378 ; ai aj ak al gromos type
1379 N -C CA CD2 gi_1
1380 CA N C CB gi_2
1381 OD1 CB CD2 CG gi_2
1382 C CA +N O gi_1
1383 [ dihedrals ]
1384 ; ai aj ak al gromos type
1385 -CA -C N CA gd_14
1386 -C N CA C gd_39
1387 CA N CD2 CG gd_39
1388 N CA CB CG gd_34
1389 N CA C +N gd_40
1390 CA CB CG CD2 gd_34
1391 CB CG OD1 HD1 gd_23
1392 CB CG CD2 N gd_34
1394 [ ILE ]
1395 [ atoms ]
1396 N N -0.31000 0
1397 H H 0.31000 0
1398 CA CH1 0.00000 1
1399 CB CH1 0.00000 2
1400 CG1 CH2 0.00000 2
1401 CG2 CH3 0.00000 2
1402 CD CH3 0.00000 2
1403 C C 0.450 3
1404 O O -0.450 3
1405 [ bonds ]
1406 N H gb_2
1407 N CA gb_21
1408 CA CB gb_27
1409 CA C gb_27
1410 CB CG1 gb_27
1411 CB CG2 gb_27
1412 CG1 CD gb_27
1413 C O gb_5
1414 C +N gb_10
1415 [ angles ]
1416 ; ai aj ak gromos type
1417 -C N H ga_32
1418 -C N CA ga_31
1419 H N CA ga_18
1420 N CA CB ga_13
1421 N CA C ga_13
1422 CB CA C ga_13
1423 CA CB CG1 ga_15
1424 CA CB CG2 ga_15
1425 CG1 CB CG2 ga_15
1426 CB CG1 CD ga_15
1427 CA C O ga_30
1428 CA C +N ga_19
1429 O C +N ga_33
1430 [ impropers ]
1431 ; ai aj ak al gromos type
1432 N -C CA H gi_1
1433 CA N C CB gi_2
1434 CB CG1 CG2 CA gi_2
1435 C CA +N O gi_1
1436 [ dihedrals ]
1437 ; ai aj ak al gromos type
1438 -CA -C N CA gd_14
1439 -C N CA C gd_39
1440 N CA CB CG1 gd_34
1441 N CA C +N gd_40
1442 CA CB CG1 CD gd_34
1444 [ LEU ]
1445 [ atoms ]
1446 N N -0.31000 0
1447 H H 0.31000 0
1448 CA CH1 0.00000 1
1449 CB CH2 0.00000 1
1450 CG CH1 0.00000 2
1451 CD1 CH3 0.00000 2
1452 CD2 CH3 0.00000 2
1453 C C 0.450 3
1454 O O -0.450 3
1455 [ bonds ]
1456 N H gb_2
1457 N CA gb_21
1458 CA CB gb_27
1459 CA C gb_27
1460 CB CG gb_27
1461 CG CD1 gb_27
1462 CG CD2 gb_27
1463 C O gb_5
1464 C +N gb_10
1465 [ angles ]
1466 ; ai aj ak gromos type
1467 -C N H ga_32
1468 -C N CA ga_31
1469 H N CA ga_18
1470 N CA CB ga_13
1471 N CA C ga_13
1472 CB CA C ga_13
1473 CA CB CG ga_15
1474 CB CG CD1 ga_15
1475 CB CG CD2 ga_15
1476 CD1 CG CD2 ga_15
1477 CA C O ga_30
1478 CA C +N ga_19
1479 O C +N ga_33
1480 [ impropers ]
1481 ; ai aj ak al gromos type
1482 N -C CA H gi_1
1483 CA N C CB gi_2
1484 CB CD1 CD2 CG gi_2
1485 C CA +N O gi_1
1486 [ dihedrals ]
1487 ; ai aj ak al gromos type
1488 -CA -C N CA gd_14
1489 -C N CA C gd_39
1490 N CA CB CG gd_34
1491 N CA C +N gd_40
1492 CA CB CG CD1 gd_34
1494 [ LYS ]
1495 [ atoms ]
1496 N N -0.31000 0
1497 H H 0.31000 0
1498 CA CH1 0.00000 1
1499 CB CH2 0.00000 1
1500 CG CH2 0.00000 2
1501 CD CH2 0.00000 2
1502 CE CH2 0.00000 3
1503 NZ NT -0.83000 3
1504 HZ1 H 0.41500 3
1505 HZ2 H 0.41500 3
1506 C C 0.450 4
1507 O O -0.450 4
1508 [ bonds ]
1509 N H gb_2
1510 N CA gb_21
1511 CA CB gb_27
1512 CA C gb_27
1513 CB CG gb_27
1514 CG CD gb_27
1515 CD CE gb_27
1516 CE NZ gb_21
1517 NZ HZ1 gb_2
1518 NZ HZ2 gb_2
1519 C O gb_5
1520 C +N gb_10
1521 [ angles ]
1522 ; ai aj ak gromos type
1523 -C N H ga_32
1524 -C N CA ga_31
1525 H N CA ga_18
1526 N CA CB ga_13
1527 N CA C ga_13
1528 CB CA C ga_13
1529 CA CB CG ga_15
1530 CB CG CD ga_15
1531 CG CD CE ga_15
1532 CD CE NZ ga_15
1533 CE NZ HZ1 ga_11
1534 CE NZ HZ2 ga_11
1535 HZ1 NZ HZ2 ga_10
1536 CA C O ga_30
1537 CA C +N ga_19
1538 O C +N ga_33
1539 [ impropers ]
1540 ; ai aj ak al gromos type
1541 N -C CA H gi_1
1542 CA N C CB gi_2
1543 C CA +N O gi_1
1544 [ dihedrals ]
1545 ; ai aj ak al gromos type
1546 -CA -C N CA gd_14
1547 -C N CA C gd_39
1548 N CA CB CG gd_34
1549 N CA C +N gd_40
1550 CA CB CG CD gd_34
1551 CB CG CD CE gd_34
1552 CG CD CE NZ gd_34
1553 CD CE NZ HZ1 gd_29
1555 [ LYSH ]
1556 [ atoms ]
1557 N N -0.31000 0
1558 H H 0.31000 0
1559 CA CH1 0.00000 1
1560 CB CH2 0.00000 1
1561 CG CH2 0.00000 2
1562 CD CH2 0.00000 2
1563 CE CH2 0.12700 3
1564 NZ NL 0.12900 3
1565 HZ1 H 0.24800 3
1566 HZ2 H 0.24800 3
1567 HZ3 H 0.24800 3
1568 C C 0.450 4
1569 O O -0.450 4
1570 [ bonds ]
1571 N H gb_2
1572 N CA gb_21
1573 CA CB gb_27
1574 CA C gb_27
1575 CB CG gb_27
1576 CG CD gb_27
1577 CD CE gb_27
1578 CE NZ gb_21
1579 NZ HZ1 gb_2
1580 NZ HZ2 gb_2
1581 NZ HZ3 gb_2
1582 C O gb_5
1583 C +N gb_10
1584 [ angles ]
1585 ; ai aj ak gromos type
1586 -C N H ga_32
1587 -C N CA ga_31
1588 H N CA ga_18
1589 N CA CB ga_13
1590 N CA C ga_13
1591 CB CA C ga_13
1592 CA CB CG ga_15
1593 CB CG CD ga_15
1594 CG CD CE ga_15
1595 CD CE NZ ga_15
1596 CE NZ HZ1 ga_11
1597 CE NZ HZ2 ga_11
1598 CE NZ HZ3 ga_11
1599 HZ1 NZ HZ2 ga_10
1600 HZ1 NZ HZ3 ga_10
1601 HZ2 NZ HZ3 ga_10
1602 CA C O ga_30
1603 CA C +N ga_19
1604 O C +N ga_33
1605 [ impropers ]
1606 ; ai aj ak al gromos type
1607 N -C CA H gi_1
1608 CA N C CB gi_2
1609 C CA +N O gi_1
1610 [ dihedrals ]
1611 ; ai aj ak al gromos type
1612 -CA -C N CA gd_14
1613 -C N CA C gd_39
1614 N CA CB CG gd_34
1615 N CA C +N gd_40
1616 CA CB CG CD gd_34
1617 CB CG CD CE gd_34
1618 CG CD CE NZ gd_34
1619 CD CE NZ HZ1 gd_29
1621 [ MET ]
1622 [ atoms ]
1623 N N -0.31000 0
1624 H H 0.31000 0
1625 CA CH1 0.00000 1
1626 CB CH2 0.00000 1
1627 CG CH2 0.15000 2
1628 SD S -0.30000 2
1629 CE CH3 0.15000 2
1630 C C 0.450 3
1631 O O -0.450 3
1632 [ bonds ]
1633 N H gb_2
1634 N CA gb_21
1635 CA CB gb_27
1636 CA C gb_27
1637 CB CG gb_27
1638 CG SD gb_32
1639 SD CE gb_31
1640 C O gb_5
1641 C +N gb_10
1642 [ angles ]
1643 ; ai aj ak gromos type
1644 -C N H ga_32
1645 -C N CA ga_31
1646 H N CA ga_18
1647 N CA CB ga_13
1648 N CA C ga_13
1649 CB CA C ga_13
1650 CA CB CG ga_15
1651 CB CG SD ga_16
1652 CG SD CE ga_4
1653 CA C O ga_30
1654 CA C +N ga_19
1655 O C +N ga_33
1656 [ impropers ]
1657 ; ai aj ak al gromos type
1658 N -C CA H gi_1
1659 CA N C CB gi_2
1660 C CA +N O gi_1
1661 [ dihedrals ]
1662 ; ai aj ak al gromos type
1663 -CA -C N CA gd_14
1664 -C N CA C gd_39
1665 N CA CB CG gd_34
1666 N CA C +N gd_40
1667 CA CB CG SD gd_34
1668 CB CG SD CE gd_26
1670 [ PHE ]
1671 [ atoms ]
1672 N N -0.31000 0
1673 H H 0.31000 0
1674 CA CH1 0.00000 1
1675 CB CH2 0.29200 1
1676 CG C -0.29200 1
1677 CD1 C -0.14600 2
1678 HD1 HC 0.14600 2
1679 CD2 C -0.14600 3
1680 HD2 HC 0.14600 3
1681 CE1 C -0.14600 4
1682 HE1 HC 0.14600 4
1683 CE2 C -0.14600 5
1684 HE2 HC 0.14600 5
1685 CZ C -0.14600 6
1686 HZ HC 0.14600 6
1687 C C 0.450 7
1688 O O -0.450 7
1689 [ bonds ]
1690 N H gb_2
1691 N CA gb_21
1692 CA CB gb_27
1693 CA C gb_27
1694 CB CG gb_27
1695 CG CD1 gb_16
1696 CG CD2 gb_16
1697 CD1 HD1 gb_3
1698 CD1 CE1 gb_16
1699 CD2 HD2 gb_3
1700 CD2 CE2 gb_16
1701 CE1 HE1 gb_3
1702 CE1 CZ gb_16
1703 CE2 HE2 gb_3
1704 CE2 CZ gb_16
1705 CZ HZ gb_3
1706 C O gb_5
1707 C +N gb_10
1708 [ exclusions ]
1709 ; ai aj
1710 CB HD1
1711 CB HD2
1712 CB CE1
1713 CB CE2
1714 CG HE1
1715 CG HE2
1716 CG CZ
1717 CD1 HD2
1718 CD1 CE2
1719 CD1 HZ
1720 HD1 CD2
1721 HD1 HE1
1722 HD1 CZ
1723 CD2 CE1
1724 CD2 HZ
1725 HD2 HE2
1726 HD2 CZ
1727 CE1 HE2
1728 HE1 CE2
1729 HE1 HZ
1730 HE2 HZ
1731 [ angles ]
1732 ; ai aj ak gromos type
1733 -C N H ga_32
1734 -C N CA ga_31
1735 H N CA ga_18
1736 N CA CB ga_13
1737 N CA C ga_13
1738 CB CA C ga_13
1739 CA CB CG ga_15
1740 CB CG CD1 ga_27
1741 CB CG CD2 ga_27
1742 CD1 CG CD2 ga_27
1743 CG CD1 HD1 ga_25
1744 CG CD1 CE1 ga_27
1745 HD1 CD1 CE1 ga_25
1746 CG CD2 HD2 ga_25
1747 CG CD2 CE2 ga_27
1748 HD2 CD2 CE2 ga_25
1749 CD1 CE1 HE1 ga_25
1750 CD1 CE1 CZ ga_27
1751 HE1 CE1 CZ ga_25
1752 CD2 CE2 HE2 ga_25
1753 CD2 CE2 CZ ga_27
1754 HE2 CE2 CZ ga_25
1755 CE1 CZ CE2 ga_27
1756 CE1 CZ HZ ga_25
1757 CE2 CZ HZ ga_25
1758 CA C O ga_30
1759 CA C +N ga_19
1760 O C +N ga_33
1761 [ impropers ]
1762 ; ai aj ak al gromos type
1763 N -C CA H gi_1
1764 CA N C CB gi_2
1765 CG CD1 CD2 CB gi_1
1766 CG CD1 CE1 CZ gi_1
1767 CG CD2 CE2 CZ gi_1
1768 CD1 CG CD2 CE2 gi_1
1769 CD1 CG CE1 HD1 gi_1
1770 CD1 CE1 CZ CE2 gi_1
1771 CD2 CG CD1 CE1 gi_1
1772 CD2 CG CE2 HD2 gi_1
1773 CD2 CE2 CZ CE1 gi_1
1774 HE1 CD1 CZ CE1 gi_1
1775 HE2 CD2 CZ CE2 gi_1
1776 CZ CE1 CE2 HZ gi_1
1777 C CA +N O gi_1
1778 [ dihedrals ]
1779 ; ai aj ak al gromos type
1780 -CA -C N CA gd_14
1781 -C N CA C gd_39
1782 N CA CB CG gd_34
1783 N CA C +N gd_40
1784 CA CB CG CD1 gd_40
1786 [ PRO ]
1787 [ atoms ]
1788 N N 0.00000 0
1789 CA CH1 0.00000 1
1790 CB CH2r 0.00000 1
1791 CG CH2r 0.00000 2
1792 CD CH2r 0.00000 2
1793 C C 0.450 3
1794 O O -0.450 3
1795 [ bonds ]
1796 N CA gb_21
1797 N CD gb_21
1798 CA CB gb_27
1799 CA C gb_27
1800 CB CG gb_27
1801 CG CD gb_27
1802 C O gb_5
1803 C +N gb_10
1804 [ angles ]
1805 ; ai aj ak gromos type
1806 -C N CA ga_31
1807 -C N CD ga_31
1808 CA N CD ga_21
1809 N CA CB ga_13
1810 N CA C ga_13
1811 CB CA C ga_13
1812 CA CB CG ga_13
1813 CB CG CD ga_13
1814 N CD CG ga_13
1815 CA C O ga_30
1816 CA C +N ga_19
1817 O C +N ga_33
1818 [ impropers ]
1819 ; ai aj ak al gromos type
1820 N -C CA CD gi_1
1821 CA N C CB gi_2
1822 C CA +N O gi_1
1823 [ dihedrals ]
1824 ; ai aj ak al gromos type
1825 -CA -C N CA gd_14
1826 -C N CA C gd_39
1827 CA N CD CG gd_39
1828 N CA CB CG gd_34
1829 N CA C +N gd_40
1830 CA CB CG CD gd_34
1831 CB CG CD N gd_34
1833 [ SER ]
1834 [ atoms ]
1835 N N -0.31000 0
1836 H H 0.31000 0
1837 CA CH1 0.00000 1
1838 CB CH2 0.20800 2
1839 OG OA -0.61100 2
1840 HG H 0.40300 2
1841 C C 0.450 3
1842 O O -0.450 3
1843 [ bonds ]
1844 N H gb_2
1845 N CA gb_21
1846 CA CB gb_27
1847 CA C gb_27
1848 CB OG gb_18
1849 OG HG gb_1
1850 C O gb_5
1851 C +N gb_10
1852 [ angles ]
1853 ; ai aj ak gromos type
1854 -C N H ga_32
1855 -C N CA ga_31
1856 H N CA ga_18
1857 N CA CB ga_13
1858 N CA C ga_13
1859 CB CA C ga_13
1860 CA CB OG ga_13
1861 CB OG HG ga_12
1862 CA C O ga_30
1863 CA C +N ga_19
1864 O C +N ga_33
1865 [ impropers ]
1866 ; ai aj ak al gromos type
1867 N -C CA H gi_1
1868 CA N C CB gi_2
1869 C CA +N O gi_1
1870 [ dihedrals ]
1871 ; ai aj ak al gromos type
1872 -CA -C N CA gd_14
1873 -C N CA C gd_39
1874 N CA CB OG gd_34
1875 N CA C +N gd_40
1876 CA CB OG HG gd_23
1878 [ THR ]
1879 [ atoms ]
1880 N N -0.31000 0
1881 H H 0.31000 0
1882 CA CH1 0.00000 1
1883 CB CH1 0.20800 2
1884 OG1 OA -0.61100 2
1885 HG1 H 0.40300 2
1886 CG2 CH3 0.00000 3
1887 C C 0.450 4
1888 O O -0.450 4
1889 [ bonds ]
1890 N H gb_2
1891 N CA gb_21
1892 CA CB gb_27
1893 CA C gb_27
1894 CB OG1 gb_18
1895 CB CG2 gb_27
1896 OG1 HG1 gb_1
1897 C O gb_5
1898 C +N gb_10
1899 [ angles ]
1900 ; ai aj ak gromos type
1901 -C N H ga_32
1902 -C N CA ga_31
1903 H N CA ga_18
1904 N CA CB ga_13
1905 N CA C ga_13
1906 CB CA C ga_13
1907 CA CB OG1 ga_13
1908 CA CB CG2 ga_15
1909 OG1 CB CG2 ga_15
1910 CB OG1 HG1 ga_12
1911 CA C O ga_30
1912 CA C +N ga_19
1913 O C +N ga_33
1914 [ impropers ]
1915 ; ai aj ak al gromos type
1916 N -C CA H gi_1
1917 CA N C CB gi_2
1918 CB OG1 CG2 CA gi_2
1919 C CA +N O gi_1
1920 [ dihedrals ]
1921 ; ai aj ak al gromos type
1922 -CA -C N CA gd_14
1923 -C N CA C gd_39
1924 N CA CB OG1 gd_34
1925 N CA C +N gd_40
1926 CA CB OG1 HG1 gd_23
1928 [ TRP ]
1929 [ atoms ]
1930 N N -0.31000 0
1931 H H 0.31000 0
1932 CA CH1 0.00000 1
1933 CB CH2 0.00000 1
1934 CG C 0.00000 2
1935 CD1 C -0.14600 3
1936 HD1 HC 0.14600 3
1937 CD2 C 0.00000 4
1938 NE1 NR -0.31000 5
1939 HE1 H 0.31000 5
1940 CE2 C 0.00000 6
1941 CE3 C -0.14600 7
1942 HE3 HC 0.14600 7
1943 CZ2 C -0.14600 8
1944 HZ2 HC 0.14600 8
1945 CZ3 C -0.14600 9
1946 HZ3 HC 0.14600 9
1947 CH2 C -0.14600 10
1948 HH2 HC 0.14600 10
1949 C C 0.450 11
1950 O O -0.450 11
1951 [ bonds ]
1952 N H gb_2
1953 N CA gb_21
1954 CA CB gb_27
1955 CA C gb_27
1956 CB CG gb_27
1957 CG CD1 gb_10
1958 CG CD2 gb_16
1959 CD1 HD1 gb_3
1960 CD1 NE1 gb_10
1961 CD2 CE2 gb_16
1962 CD2 CE3 gb_16
1963 NE1 HE1 gb_2
1964 NE1 CE2 gb_10
1965 CE2 CZ2 gb_16
1966 CE3 HE3 gb_3
1967 CE3 CZ3 gb_16
1968 CZ2 HZ2 gb_3
1969 CZ2 CH2 gb_16
1970 CZ3 HZ3 gb_3
1971 CZ3 CH2 gb_16
1972 CH2 HH2 gb_3
1973 C O gb_5
1974 C +N gb_10
1975 [ exclusions ]
1976 ; ai aj
1977 CB HD1
1978 CB NE1
1979 CB CE2
1980 CB CE3
1981 CG HE1
1982 CG HE3
1983 CG CZ2
1984 CG CZ3
1985 CD1 CE3
1986 CD1 CZ2
1987 HD1 CD2
1988 HD1 HE1
1989 HD1 CE2
1990 CD2 HE1
1991 CD2 HZ2
1992 CD2 HZ3
1993 CD2 CH2
1994 NE1 CE3
1995 NE1 HZ2
1996 NE1 CH2
1997 HE1 CZ2
1998 CE2 HE3
1999 CE2 CZ3
2000 CE2 HH2
2001 CE3 CZ2
2002 CE3 HH2
2003 HE3 HZ3
2004 HE3 CH2
2005 CZ2 HZ3
2006 HZ2 CZ3
2007 HZ2 HH2
2008 HZ3 HH2
2009 [ angles ]
2010 ; ai aj ak gromos type
2011 -C N H ga_32
2012 -C N CA ga_31
2013 H N CA ga_18
2014 N CA CB ga_13
2015 N CA C ga_13
2016 CB CA C ga_13
2017 CA CB CG ga_15
2018 CB CG CD1 ga_37
2019 CB CG CD2 ga_37
2020 CD1 CG CD2 ga_7
2021 CG CD1 HD1 ga_36
2022 CG CD1 NE1 ga_7
2023 HD1 CD1 NE1 ga_36
2024 CG CD2 CE2 ga_7
2025 CG CD2 CE3 ga_39
2026 CE2 CD2 CE3 ga_27
2027 CD1 NE1 HE1 ga_36
2028 CD1 NE1 CE2 ga_7
2029 HE1 NE1 CE2 ga_36
2030 CD2 CE2 NE1 ga_7
2031 CD2 CE2 CZ2 ga_27
2032 NE1 CE2 CZ2 ga_39
2033 CD2 CE3 HE3 ga_25
2034 CD2 CE3 CZ3 ga_27
2035 HE3 CE3 CZ3 ga_25
2036 CE2 CZ2 HZ2 ga_25
2037 CE2 CZ2 CH2 ga_27
2038 HZ2 CZ2 CH2 ga_25
2039 CE3 CZ3 HZ3 ga_25
2040 CE3 CZ3 CH2 ga_27
2041 HZ3 CZ3 CH2 ga_25
2042 CZ2 CH2 CZ3 ga_27
2043 CZ2 CH2 HH2 ga_25
2044 CZ3 CH2 HH2 ga_25
2045 CA C O ga_30
2046 CA C +N ga_19
2047 O C +N ga_33
2048 [ impropers ]
2049 ; ai aj ak al gromos type
2050 N -C CA H gi_1
2051 CA N C CB gi_2
2052 CG CD1 CD2 CB gi_1
2053 CG CD1 NE1 CE2 gi_1
2054 CG CD2 CE2 NE1 gi_1
2055 CD1 CG CD2 CE2 gi_1
2056 CD1 CG NE1 HD1 gi_1
2057 CD1 NE1 CE2 CD2 gi_1
2058 CD2 CG CD1 NE1 gi_1
2059 CD2 CE2 CE3 CG gi_1
2060 CD2 CE2 CZ2 CH2 gi_1
2061 CD2 CE3 CZ3 CH2 gi_1
2062 NE1 CD1 CE2 HE1 gi_1
2063 CE2 CD2 CE3 CZ3 gi_1
2064 CE2 CD2 CZ2 NE1 gi_1
2065 CE2 CZ2 CH2 CZ3 gi_1
2066 CE3 CD2 CE2 CZ2 gi_1
2067 CE3 CD2 CZ3 HE3 gi_1
2068 CE3 CZ3 CH2 CZ2 gi_1
2069 CZ2 CE2 CH2 HZ2 gi_1
2070 CZ3 CE3 CH2 HZ3 gi_1
2071 CH2 CZ2 CZ3 HH2 gi_1
2072 C CA +N O gi_1
2073 [ dihedrals ]
2074 ; ai aj ak al gromos type
2075 -CA -C N CA gd_14
2076 -C N CA C gd_39
2077 N CA CB CG gd_34
2078 N CA C +N gd_40
2079 CA CB CG CD2 gd_40
2081 [ TYR ]
2082 [ atoms ]
2083 N N -0.31000 0
2084 H H 0.31000 0
2085 CA CH1 0.00000 1
2086 CB CH2 0.29200 1
2087 CG C -0.29200 1
2088 CD1 C -0.14600 2
2089 HD1 HC 0.14600 2
2090 CD2 C -0.14600 3
2091 HD2 HC 0.14600 3
2092 CE1 C -0.14600 4
2093 HE1 HC 0.14600 4
2094 CE2 C -0.14600 5
2095 HE2 HC 0.14600 5
2096 CZ C 0.20800 6
2097 OH OA -0.61100 6
2098 HH H 0.40300 6
2099 C C 0.450 7
2100 O O -0.450 7
2101 [ bonds ]
2102 N H gb_2
2103 N CA gb_21
2104 CA CB gb_27
2105 CA C gb_27
2106 CB CG gb_27
2107 CG CD1 gb_16
2108 CG CD2 gb_16
2109 CD1 HD1 gb_3
2110 CD1 CE1 gb_16
2111 CD2 HD2 gb_3
2112 CD2 CE2 gb_16
2113 CE1 HE1 gb_3
2114 CE1 CZ gb_16
2115 CE2 HE2 gb_3
2116 CE2 CZ gb_16
2117 CZ OH gb_13
2118 OH HH gb_1
2119 C O gb_5
2120 C +N gb_10
2121 [ exclusions ]
2122 ; ai aj
2123 CB HD1
2124 CB HD2
2125 CB CE1
2126 CB CE2
2127 CG HE1
2128 CG HE2
2129 CG CZ
2130 CD1 HD2
2131 CD1 CE2
2132 CD1 OH
2133 HD1 CD2
2134 HD1 HE1
2135 HD1 CZ
2136 CD2 CE1
2137 CD2 OH
2138 HD2 HE2
2139 HD2 CZ
2140 CE1 HE2
2141 HE1 CE2
2142 HE1 OH
2143 HE2 OH
2144 [ angles ]
2145 ; ai aj ak gromos type
2146 -C N H ga_32
2147 -C N CA ga_31
2148 H N CA ga_18
2149 N CA CB ga_13
2150 N CA C ga_13
2151 CB CA C ga_13
2152 CA CB CG ga_15
2153 CB CG CD1 ga_27
2154 CB CG CD2 ga_27
2155 CD1 CG CD2 ga_27
2156 CG CD1 HD1 ga_25
2157 CG CD1 CE1 ga_27
2158 HD1 CD1 CE1 ga_25
2159 CG CD2 HD2 ga_25
2160 CG CD2 CE2 ga_27
2161 HD2 CD2 CE2 ga_25
2162 CD1 CE1 HE1 ga_25
2163 CD1 CE1 CZ ga_27
2164 HE1 CE1 CZ ga_25
2165 CD2 CE2 HE2 ga_25
2166 CD2 CE2 CZ ga_27
2167 HE2 CE2 CZ ga_25
2168 CE1 CZ CE2 ga_27
2169 CE1 CZ OH ga_27
2170 CE2 CZ OH ga_27
2171 CZ OH HH ga_12
2172 CA C O ga_30
2173 CA C +N ga_19
2174 O C +N ga_33
2175 [ impropers ]
2176 ; ai aj ak al gromos type
2177 N -C CA H gi_1
2178 CA N C CB gi_2
2179 CG CD1 CD2 CB gi_1
2180 CG CD1 CE1 CZ gi_1
2181 CG CD2 CE2 CZ gi_1
2182 CD1 CG CD2 CE2 gi_1
2183 CD1 CG CE1 HD1 gi_1
2184 CD1 CE1 CZ CE2 gi_1
2185 CD2 CG CD1 CE1 gi_1
2186 CD2 CG CE2 HD2 gi_1
2187 CD2 CE2 CZ CE1 gi_1
2188 HE1 CD1 CZ CE1 gi_1
2189 HE2 CD2 CZ CE2 gi_1
2190 CZ CE1 CE2 OH gi_1
2191 C CA +N O gi_1
2192 [ dihedrals ]
2193 ; ai aj ak al gromos type
2194 -CA -C N CA gd_14
2195 -C N CA C gd_39
2196 N CA CB CG gd_34
2197 N CA C +N gd_40
2198 CA CB CG CD1 gd_40
2199 CE1 CZ OH HH gd_11
2201 [ VAL ]
2202 [ atoms ]
2203 N N -0.31000 0
2204 H H 0.31000 0
2205 CA CH1 0.00000 1
2206 CB CH1 0.00000 1
2207 CG1 CH3 0.00000 1
2208 CG2 CH3 0.00000 1
2209 C C 0.450 2
2210 O O -0.450 2
2211 [ bonds ]
2212 N H gb_2
2213 N CA gb_21
2214 CA CB gb_27
2215 CA C gb_27
2216 CB CG1 gb_27
2217 CB CG2 gb_27
2218 C O gb_5
2219 C +N gb_10
2220 [ angles ]
2221 ; ai aj ak gromos type
2222 -C N H ga_32
2223 -C N CA ga_31
2224 H N CA ga_18
2225 N CA CB ga_13
2226 N CA C ga_13
2227 CB CA C ga_13
2228 CA CB CG1 ga_15
2229 CA CB CG2 ga_15
2230 CG1 CB CG2 ga_15
2231 CA C O ga_30
2232 CA C +N ga_19
2233 O C +N ga_33
2234 [ impropers ]
2235 ; ai aj ak al gromos type
2236 N -C CA H gi_1
2237 CA N C CB gi_2
2238 CA CG1 CG2 CB gi_2
2239 C CA +N O gi_1
2240 [ dihedrals ]
2241 ; ai aj ak al gromos type
2242 -CA -C N CA gd_14
2243 -C N CA C gd_39
2244 N CA CB CG1 gd_34
2245 N CA C +N gd_40
2247 [ DALA ]
2248 [ atoms ]
2249 N N -0.31000 0
2250 H H 0.31000 0
2251 CA CH1 0.00000 1
2252 CB CH3 0.00000 1
2253 C C 0.450 2
2254 O O -0.450 2
2255 [ bonds ]
2256 N H gb_2
2257 N CA gb_21
2258 CA CB gb_27
2259 CA C gb_27
2260 C O gb_5
2261 C +N gb_10
2262 [ angles ]
2263 ; ai aj ak gromos type
2264 -C N H ga_32
2265 -C N CA ga_31
2266 H N CA ga_18
2267 N CA CB ga_13
2268 N CA C ga_13
2269 CB CA C ga_13
2270 CA C O ga_30
2271 CA C +N ga_19
2272 O C +N ga_33
2273 [ impropers ]
2274 ; ai aj ak al gromos type
2275 N -C CA H gi_1
2276 CB N C CA gi_2
2277 C CA +N O gi_1
2278 [ dihedrals ]
2279 ; ai aj ak al gromos type
2280 -CA -C N CA gd_14
2281 -C N CA C gd_39
2282 N CA C +N gd_40
2284 [ ABU ]
2285 [ atoms ]
2286 N N -0.31000 0
2287 H H 0.31000 0
2288 CA CH1 0.00000 1
2289 CB CH2 0.00000 1
2290 CG CH3 0.00000 1
2291 C C 0.450 2
2292 O O -0.450 2
2293 [ bonds ]
2294 N H gb_2
2295 N CA gb_21
2296 CA CB gb_27
2297 CA C gb_27
2298 CB CG gb_27
2299 C O gb_5
2300 C +N gb_10
2301 [ angles ]
2302 ; ai aj ak gromos type
2303 -C N H ga_32
2304 -C N CA ga_31
2305 H N CA ga_18
2306 N CA CB ga_13
2307 N CA C ga_13
2308 CB CA C ga_13
2309 CA CB CG ga_15
2310 CA C O ga_30
2311 CA C +N ga_19
2312 O C +N ga_33
2313 [ impropers ]
2314 ; ai aj ak al gromos type
2315 N -C CA H gi_1
2316 CA N C CB gi_2
2317 C CA +N O gi_1
2318 [ dihedrals ]
2319 ; ai aj ak al gromos type
2320 -CA -C N CA gd_14
2321 -C N CA C gd_39
2322 N CA CB CG gd_34
2323 N CA C +N gd_40
2325 [ MEBMT ]
2326 [ atoms ]
2327 N N 0.00000 0
2328 CN CH3 0.00000 0
2329 CA CH1 0.00000 1
2330 CB CH1 0.20800 2
2331 OG1 OA -0.61100 2
2332 HG1 H 0.40300 2
2333 CG2 CH1 0.00000 3
2334 CD1 CH3 0.00000 3
2335 CD2 CH2 0.00000 3
2336 CE CR1 0.00000 4
2337 CZ CR1 0.00000 4
2338 CH CH3 0.00000 4
2339 C C 0.450 5
2340 O O -0.450 5
2341 [ bonds ]
2342 N CN gb_21
2343 N CA gb_21
2344 CA CB gb_27
2345 CA C gb_27
2346 CB OG1 gb_18
2347 CB CG2 gb_27
2348 OG1 HG1 gb_1
2349 CG2 CD1 gb_27
2350 CG2 CD2 gb_27
2351 CD2 CE gb_27
2352 CE CZ gb_10
2353 CZ CH gb_27
2354 C O gb_5
2355 C +N gb_10
2356 [ angles ]
2357 ; ai aj ak gromos type
2358 -C N CN ga_22
2359 -C N CA ga_31
2360 CN N CA ga_30
2361 N CA CB ga_13
2362 N CA C ga_13
2363 CB CA C ga_13
2364 CA CB OG1 ga_13
2365 CA CB CG2 ga_15
2366 OG1 CB CG2 ga_15
2367 CB OG1 HG1 ga_12
2368 CB CG2 CD1 ga_15
2369 CB CG2 CD2 ga_15
2370 CD1 CG2 CD2 ga_15
2371 CG2 CD2 CE ga_15
2372 CD2 CE CZ ga_27
2373 CE CZ CH ga_27
2374 CA C O ga_30
2375 CA C +N ga_19
2376 O C +N ga_33
2377 [ impropers ]
2378 ; ai aj ak al gromos type
2379 N -C CA CN gi_1
2380 CA N C CB gi_2
2381 CB OG1 CG2 CA gi_2
2382 CG2 CD1 CD2 CB gi_2
2383 C CA +N O gi_1
2384 [ dihedrals ]
2385 ; ai aj ak al gromos type
2386 -CA -C N CA gd_14
2387 -C N CA C gd_39
2388 N CA CB CG2 gd_34
2389 N CA C +N gd_40
2390 CA CB OG1 HG1 gd_23
2391 CA CB CG2 CD2 gd_34
2392 CB CG2 CD2 CE gd_34
2393 CG2 CD2 CE CZ gd_40
2394 CD2 CE CZ CH gd_14
2396 [ MELEU ]
2397 [ atoms ]
2398 N N 0.00000 0
2399 CN CH3 0.00000 0
2400 CA CH1 0.00000 1
2401 CB CH2 0.00000 1
2402 CG CH1 0.00000 2
2403 CD1 CH3 0.00000 2
2404 CD2 CH3 0.00000 2
2405 C C 0.450 3
2406 O O -0.450 3
2407 [ bonds ]
2408 N CN gb_21
2409 N CA gb_21
2410 CA CB gb_27
2411 CA C gb_27
2412 CB CG gb_27
2413 CG CD1 gb_27
2414 CG CD2 gb_27
2415 C O gb_5
2416 C +N gb_10
2417 [ angles ]
2418 ; ai aj ak gromos type
2419 -C N CN ga_22
2420 -C N CA ga_31
2421 CN N CA ga_30
2422 N CA CB ga_13
2423 N CA C ga_13
2424 CB CA C ga_13
2425 CA CB CG ga_15
2426 CB CG CD1 ga_15
2427 CB CG CD2 ga_15
2428 CD1 CG CD2 ga_15
2429 CA C O ga_30
2430 CA C +N ga_19
2431 O C +N ga_33
2432 [ impropers ]
2433 ; ai aj ak al gromos type
2434 N -C CA CN gi_1
2435 CA N C CB gi_2
2436 CB CD1 CD2 CG gi_2
2437 C CA +N O gi_1
2438 [ dihedrals ]
2439 ; ai aj ak al gromos type
2440 -CA -C N CA gd_14
2441 -C N CA C gd_39
2442 N CA CB CG gd_34
2443 N CA C +N gd_40
2444 CA CB CG CD1 gd_34
2446 [ MEVAL ]
2447 [ atoms ]
2448 N N 0.00000 0
2449 CN CH3 0.00000 0
2450 CA CH1 0.00000 1
2451 CB CH1 0.00000 1
2452 CG1 CH3 0.00000 1
2453 CG2 CH3 0.00000 1
2454 C C 0.450 2
2455 O O -0.450 2
2456 [ bonds ]
2457 N CN gb_21
2458 N CA gb_21
2459 CA CB gb_27
2460 CA C gb_27
2461 CB CG1 gb_27
2462 CB CG2 gb_27
2463 C O gb_5
2464 C +N gb_10
2465 [ angles ]
2466 ; ai aj ak gromos type
2467 -C N CN ga_22
2468 -C N CA ga_31
2469 CN N CA ga_30
2470 N CA CB ga_13
2471 N CA C ga_13
2472 CB CA C ga_13
2473 CA CB CG1 ga_15
2474 CA CB CG2 ga_15
2475 CG1 CB CG2 ga_15
2476 CA C O ga_30
2477 CA C +N ga_19
2478 O C +N ga_33
2479 [ impropers ]
2480 ; ai aj ak al gromos type
2481 N -C CA CN gi_1
2482 CA N C CB gi_2
2483 CA CG1 CG2 CB gi_2
2484 C CA +N O gi_1
2485 [ dihedrals ]
2486 ; ai aj ak al gromos type
2487 -CA -C N CA gd_14
2488 -C N CA C gd_39
2489 N CA CB CG1 gd_34
2490 N CA C +N gd_40
2492 [ SAR ]
2493 [ atoms ]
2494 N N 0.00000 0
2495 CN CH3 0.00000 0
2496 CA CH2 0.00000 1
2497 C C 0.450 2
2498 O O -0.450 2
2499 [ bonds ]
2500 N CN gb_21
2501 N CA gb_21
2502 CA C gb_27
2503 C O gb_5
2504 C +N gb_10
2505 [ angles ]
2506 ; ai aj ak gromos type
2507 -C N CN ga_22
2508 -C N CA ga_31
2509 CN N CA ga_30
2510 N CA C ga_13
2511 CA C O ga_30
2512 CA C +N ga_19
2513 O C +N ga_33
2514 [ impropers ]
2515 ; ai aj ak al gromos type
2516 N -C CA CN gi_1
2517 C CA +N O gi_1
2518 [ dihedrals ]
2519 ; ai aj ak al gromos type
2520 -CA -C N CA gd_14
2521 -C N CA C gd_39
2522 N CA C +N gd_40
2524 [ DADE ]
2525 [ atoms ]
2526 P P 0.99000 0
2527 O1P OM -0.63500 0
2528 O2P OM -0.63500 0
2529 O5* OA -0.36000 0
2530 C5* CH2 0.00000 1
2531 C4* CH1 0.16000 2
2532 O4* OA -0.36000 2
2533 C1* CH1 0.20000 2
2534 N9 NR -0.20000 3
2535 C4 C 0.20000 3
2536 N3 NR -0.54000 4
2537 C2 C 0.44000 4
2538 H2 HC 0.10000 4
2539 N1 NR -0.54000 5
2540 C6 C 0.54000 5
2541 N6 NT -0.83000 6
2542 H61 H 0.41500 6
2543 H62 H 0.41500 6
2544 C5 C 0.00000 7
2545 N7 NR -0.54000 7
2546 C8 C 0.44000 7
2547 H8 HC 0.10000 7
2548 C2* CH2r 0.00000 8
2549 C3* CH1 0.000 8
2550 O3* OA -0.360 9
2551 [ bonds ]
2552 P O1P gb_24
2553 P O2P gb_24
2554 P O5* gb_28
2555 O5* C5* gb_20
2556 C5* C4* gb_26
2557 C4* O4* gb_20
2558 C4* C3* gb_26
2559 O4* C1* gb_20
2560 C1* N9 gb_22
2561 C1* C2* gb_26
2562 N9 C4 gb_10
2563 N9 C8 gb_10
2564 C4 N3 gb_12
2565 C4 C5 gb_16
2566 N3 C2 gb_7
2567 C2 H2 gb_3
2568 C2 N1 gb_7
2569 N1 C6 gb_12
2570 C6 N6 gb_9
2571 C6 C5 gb_16
2572 N6 H61 gb_2
2573 N6 H62 gb_2
2574 C5 N7 gb_10
2575 N7 C8 gb_10
2576 C8 H8 gb_3
2577 C2* C3* gb_26
2578 C3* O3* gb_20
2579 O3* +P gb_28
2580 [ exclusions ]
2581 ; ai aj
2582 C1* N3
2583 C1* C5
2584 C1* N7
2585 C1* H8
2586 N9 C2
2587 N9 C6
2588 C4 H2
2589 C4 N1
2590 C4 N6
2591 C4 H8
2592 N3 C6
2593 N3 N7
2594 N3 C8
2595 C2 N6
2596 C2 C5
2597 H2 C6
2598 N1 N7
2599 C6 C8
2600 N6 N7
2601 H61 N7
2602 H62 N7
2603 C5 H8
2604 [ angles ]
2605 ; ai aj ak gromos type
2606 -O3* P O1P ga_14
2607 -O3* P O2P ga_14
2608 -O3* P O5* ga_5
2609 O1P P O2P ga_29
2610 O1P P O5* ga_14
2611 O2P P O5* ga_14
2612 P O5* C5* ga_26
2613 O5* C5* C4* ga_9
2614 C5* C4* O4* ga_9
2615 C5* C4* C3* ga_8
2616 O4* C4* C3* ga_9
2617 C4* O4* C1* ga_10
2618 O4* C1* N9 ga_9
2619 O4* C1* C2* ga_9
2620 N9 C1* C2* ga_9
2621 C1* N9 C4 ga_37
2622 C1* N9 C8 ga_37
2623 C4 N9 C8 ga_7
2624 N9 C4 N3 ga_39
2625 N9 C4 C5 ga_7
2626 N3 C4 C5 ga_27
2627 C4 N3 C2 ga_27
2628 N3 C2 H2 ga_25
2629 N3 C2 N1 ga_27
2630 H2 C2 N1 ga_25
2631 C2 N1 C6 ga_27
2632 N1 C6 N6 ga_27
2633 N1 C6 C5 ga_27
2634 N6 C6 C5 ga_27
2635 C6 N6 H61 ga_23
2636 C6 N6 H62 ga_23
2637 H61 N6 H62 ga_24
2638 C4 C5 C6 ga_27
2639 C4 C5 N7 ga_7
2640 C6 C5 N7 ga_39
2641 C5 N7 C8 ga_7
2642 N9 C8 N7 ga_7
2643 N9 C8 H8 ga_36
2644 N7 C8 H8 ga_36
2645 C1* C2* C3* ga_8
2646 C4* C3* C2* ga_8
2647 C4* C3* O3* ga_9
2648 C2* C3* O3* ga_9
2649 C3* O3* +P ga_26
2650 [ impropers ]
2651 ; ai aj ak al gromos type
2652 C1* C4 C8 N9 gi_1
2653 N9 C4 C5 N7 gi_1
2654 C4 N9 N3 C5 gi_1
2655 C4 N9 C8 N7 gi_1
2656 C4 N3 C2 N1 gi_1
2657 C4 C5 N7 C8 gi_1
2658 N3 C4 C5 C6 gi_1
2659 N3 C2 N1 C6 gi_1
2660 C2 N3 H2 N1 gi_1
2661 C2 N1 C6 C5 gi_1
2662 N1 C6 C5 C4 gi_1
2663 N6 N1 C5 C6 gi_1
2664 N6 H61 H62 C6 gi_1
2665 C5 C4 N3 C2 gi_1
2666 C5 C6 N7 C4 gi_1
2667 C5 N7 C8 N9 gi_1
2668 C8 N9 C4 C5 gi_1
2669 C8 N9 N7 H8 gi_1
2670 C2* O4* N9 C1* gi_2
2671 C3* C5* O4* C4* gi_2
2672 C3* C2* O3* C4* gi_2
2673 [ dihedrals ]
2674 ; ai aj ak al gromos type
2675 -C3* -O3* P O5* gd_20
2676 -C3* -O3* P O5* gd_27
2677 -O3* P O5* C5* gd_20
2678 -O3* P O5* C5* gd_27
2679 P O5* C5* C4* gd_7
2680 O5* C5* C4* O4* gd_8
2681 O5* C5* C4* O4* gd_25
2682 O5* C5* C4* C3* gd_17
2683 O5* C5* C4* C3* gd_34
2684 C3* C4* O4* C1* gd_29
2685 C5* C4* C3* C2* gd_34
2686 C5* C4* C3* O3* gd_17
2687 O4* C4* C3* C2* gd_17
2688 O4* C4* C3* O3* gd_18
2689 C4* O4* C1* C2* gd_29
2690 O4* C1* N9 C4 gd_16
2691 O4* C1* C2* C3* gd_17
2692 O4* C1* C2* C3* gd_34
2693 C5 C6 N6 H61 gd_14
2694 C1* C2* C3* C4* gd_34
2695 C1* C2* C3* O3* gd_17
2696 C4* C3* O3* +P gd_29
2698 [ DGUA ]
2699 [ atoms ]
2700 P P 0.99000 0
2701 O1P OM -0.63500 0
2702 O2P OM -0.63500 0
2703 O5* OA -0.36000 0
2704 C5* CH2 0.00000 1
2705 C4* CH1 0.16000 2
2706 O4* OA -0.36000 2
2707 C1* CH1 0.20000 2
2708 N9 NR -0.20000 3
2709 C4 C 0.20000 3
2710 N3 NR -0.54000 4
2711 C2 C 0.54000 4
2712 N2 NT -0.83000 5
2713 H21 H 0.41500 5
2714 H22 H 0.41500 5
2715 N1 NR -0.31000 6
2716 H1 H 0.31000 6
2717 C6 C 0.45000 7
2718 O6 O -0.45000 7
2719 C5 C 0.00000 8
2720 N7 NR -0.54000 8
2721 C8 C 0.44000 8
2722 H8 HC 0.10000 8
2723 C2* CH2r 0.00000 9
2724 C3* CH1 0.000 9
2725 O3* OA -0.360 10
2726 [ bonds ]
2727 P O1P gb_24
2728 P O2P gb_24
2729 P O5* gb_28
2730 O5* C5* gb_20
2731 C5* C4* gb_26
2732 C4* O4* gb_20
2733 C4* C3* gb_26
2734 O4* C1* gb_20
2735 C1* N9 gb_22
2736 C1* C2* gb_26
2737 N9 C4 gb_10
2738 N9 C8 gb_10
2739 C4 N3 gb_12
2740 C4 C5 gb_16
2741 N3 C2 gb_12
2742 C2 N2 gb_9
2743 C2 N1 gb_17
2744 N2 H21 gb_2
2745 N2 H22 gb_2
2746 N1 H1 gb_2
2747 N1 C6 gb_17
2748 C6 O6 gb_5
2749 C6 C5 gb_16
2750 C5 N7 gb_10
2751 N7 C8 gb_10
2752 C8 H8 gb_3
2753 C2* C3* gb_26
2754 C3* O3* gb_20
2755 O3* +P gb_28
2756 [ exclusions ]
2757 ; ai aj
2758 C1* N3
2759 C1* C5
2760 C1* N7
2761 C1* H8
2762 N9 C2
2763 N9 C6
2764 C4 N2
2765 C4 N1
2766 C4 O6
2767 C4 H8
2768 N3 H1
2769 N3 C6
2770 N3 N7
2771 N3 C8
2772 C2 O6
2773 C2 C5
2774 N2 H1
2775 N2 C6
2776 N1 N7
2777 H1 O6
2778 H1 C5
2779 C6 C8
2780 O6 N7
2781 C5 H8
2782 [ angles ]
2783 ; ai aj ak gromos type
2784 -O3* P O1P ga_14
2785 -O3* P O2P ga_14
2786 -O3* P O5* ga_5
2787 O1P P O2P ga_29
2788 O1P P O5* ga_14
2789 O2P P O5* ga_14
2790 P O5* C5* ga_26
2791 O5* C5* C4* ga_9
2792 C5* C4* O4* ga_9
2793 C5* C4* C3* ga_8
2794 O4* C4* C3* ga_9
2795 C4* O4* C1* ga_10
2796 O4* C1* N9 ga_9
2797 O4* C1* C2* ga_9
2798 N9 C1* C2* ga_9
2799 C1* N9 C4 ga_37
2800 C1* N9 C8 ga_37
2801 C4 N9 C8 ga_7
2802 N9 C4 N3 ga_39
2803 N9 C4 C5 ga_7
2804 N3 C4 C5 ga_27
2805 C4 N3 C2 ga_27
2806 N3 C2 N2 ga_27
2807 N3 C2 N1 ga_27
2808 N2 C2 N1 ga_27
2809 C2 N2 H21 ga_23
2810 C2 N2 H22 ga_23
2811 H21 N2 H22 ga_24
2812 C2 N1 H1 ga_25
2813 C2 N1 C6 ga_27
2814 H1 N1 C6 ga_25
2815 N1 C6 O6 ga_27
2816 N1 C6 C5 ga_27
2817 O6 C6 C5 ga_27
2818 C4 C5 C6 ga_27
2819 C4 C5 N7 ga_7
2820 C6 C5 N7 ga_39
2821 C5 N7 C8 ga_7
2822 N9 C8 N7 ga_7
2823 N9 C8 H8 ga_36
2824 N7 C8 H8 ga_36
2825 C1* C2* C3* ga_8
2826 C4* C3* C2* ga_8
2827 C4* C3* O3* ga_9
2828 C2* C3* O3* ga_9
2829 C3* O3* +P ga_26
2830 [ impropers ]
2831 ; ai aj ak al gromos type
2832 C1* C4 C8 N9 gi_1
2833 N9 C4 C5 N7 gi_1
2834 C4 N9 N3 C5 gi_1
2835 C4 N9 C8 N7 gi_1
2836 C4 N3 C2 N1 gi_1
2837 C4 C5 N7 C8 gi_1
2838 N3 C4 C5 C6 gi_1
2839 N3 C2 N1 C6 gi_1
2840 C2 N1 C6 C5 gi_1
2841 N2 N3 N1 C2 gi_1
2842 N2 H21 H22 C2 gi_1
2843 N1 C6 C5 C4 gi_1
2844 H1 C2 C6 N1 gi_1
2845 O6 N1 C5 C6 gi_1
2846 C5 C4 N3 C2 gi_1
2847 C5 C6 N7 C4 gi_1
2848 C5 N7 C8 N9 gi_1
2849 C8 N9 C4 C5 gi_1
2850 C8 N9 N7 H8 gi_1
2851 C2* O4* N9 C1* gi_2
2852 C3* C5* O4* C4* gi_2
2853 C3* C2* O3* C4* gi_2
2854 [ dihedrals ]
2855 ; ai aj ak al gromos type
2856 -C3* -O3* P O5* gd_20
2857 -C3* -O3* P O5* gd_27
2858 -O3* P O5* C5* gd_20
2859 -O3* P O5* C5* gd_27
2860 P O5* C5* C4* gd_7
2861 O5* C5* C4* O4* gd_8
2862 O5* C5* C4* O4* gd_25
2863 O5* C5* C4* C3* gd_17
2864 O5* C5* C4* C3* gd_34
2865 C3* C4* O4* C1* gd_29
2866 C5* C4* C3* C2* gd_34
2867 C5* C4* C3* O3* gd_17
2868 O4* C4* C3* C2* gd_17
2869 O4* C4* C3* O3* gd_18
2870 C4* O4* C1* C2* gd_29
2871 O4* C1* N9 C4 gd_16
2872 O4* C1* C2* C3* gd_17
2873 O4* C1* C2* C3* gd_34
2874 N3 C2 N2 H21 gd_14
2875 C1* C2* C3* C4* gd_34
2876 C1* C2* C3* O3* gd_17
2877 C4* C3* O3* +P gd_29
2879 [ DCYT ]
2880 [ atoms ]
2881 P P 0.99000 0
2882 O1P OM -0.63500 0
2883 O2P OM -0.63500 0
2884 O5* OA -0.36000 0
2885 C5* CH2 0.00000 1
2886 C4* CH1 0.16000 2
2887 O4* OA -0.36000 2
2888 C1* CH1 0.20000 2
2889 N1 NR -0.20000 3
2890 C6 C 0.10000 3
2891 H6 HC 0.10000 3
2892 C2 C 0.45000 4
2893 O2 O -0.45000 4
2894 N3 NR -0.54000 5
2895 C4 C 0.54000 5
2896 N4 NT -0.83000 6
2897 H41 H 0.41500 6
2898 H42 H 0.41500 6
2899 C5 C -0.10000 7
2900 H5 HC 0.10000 7
2901 C2* CH2r 0.00000 8
2902 C3* CH1 0.000 8
2903 O3* OA -0.360 9
2904 [ bonds ]
2905 P O1P gb_24
2906 P O2P gb_24
2907 P O5* gb_28
2908 O5* C5* gb_20
2909 C5* C4* gb_26
2910 C4* O4* gb_20
2911 C4* C3* gb_26
2912 O4* C1* gb_20
2913 C1* N1 gb_23
2914 C1* C2* gb_26
2915 N1 C6 gb_17
2916 N1 C2 gb_17
2917 C6 H6 gb_3
2918 C6 C5 gb_16
2919 C2 O2 gb_5
2920 C2 N3 gb_12
2921 N3 C4 gb_12
2922 C4 N4 gb_9
2923 C4 C5 gb_16
2924 N4 H41 gb_2
2925 N4 H42 gb_2
2926 C5 H5 gb_3
2927 C2* C3* gb_26
2928 C3* O3* gb_20
2929 O3* +P gb_28
2930 [ exclusions ]
2931 ; ai aj
2932 C1* H6
2933 C1* O2
2934 C1* N3
2935 C1* C5
2936 N1 C4
2937 N1 H5
2938 C6 O2
2939 C6 N3
2940 C6 N4
2941 H6 C2
2942 H6 C4
2943 H6 H5
2944 C2 N4
2945 C2 C5
2946 O2 C4
2947 N3 H5
2948 N4 H5
2949 [ angles ]
2950 ; ai aj ak gromos type
2951 -O3* P O1P ga_14
2952 -O3* P O2P ga_14
2953 -O3* P O5* ga_5
2954 O1P P O2P ga_29
2955 O1P P O5* ga_14
2956 O2P P O5* ga_14
2957 P O5* C5* ga_26
2958 O5* C5* C4* ga_9
2959 C5* C4* O4* ga_9
2960 C5* C4* C3* ga_8
2961 O4* C4* C3* ga_9
2962 C4* O4* C1* ga_10
2963 O4* C1* N1 ga_9
2964 O4* C1* C2* ga_9
2965 N1 C1* C2* ga_8
2966 C1* N1 C6 ga_27
2967 C1* N1 C2 ga_27
2968 C6 N1 C2 ga_27
2969 N1 C6 H6 ga_25
2970 N1 C6 C5 ga_27
2971 H6 C6 C5 ga_25
2972 N1 C2 O2 ga_27
2973 N1 C2 N3 ga_27
2974 O2 C2 N3 ga_27
2975 C2 N3 C4 ga_27
2976 N3 C4 N4 ga_27
2977 N3 C4 C5 ga_27
2978 N4 C4 C5 ga_27
2979 C4 N4 H41 ga_23
2980 C4 N4 H42 ga_23
2981 H41 N4 H42 ga_24
2982 C6 C5 C4 ga_27
2983 C6 C5 H5 ga_25
2984 C4 C5 H5 ga_25
2985 C1* C2* C3* ga_8
2986 C4* C3* C2* ga_8
2987 C4* C3* O3* ga_9
2988 C2* C3* O3* ga_9
2989 C3* O3* +P ga_26
2990 [ impropers ]
2991 ; ai aj ak al gromos type
2992 N1 C6 C2 C1* gi_1
2993 N1 C6 C5 C4 gi_1
2994 N1 C2 N3 C4 gi_1
2995 C6 N1 C2 N3 gi_1
2996 C6 N1 C5 H6 gi_1
2997 C2 N1 C6 C5 gi_1
2998 C2 N3 C4 C5 gi_1
2999 O2 N1 N3 C2 gi_1
3000 N3 C4 C5 C6 gi_1
3001 N4 N3 C5 C4 gi_1
3002 N4 H41 H42 C4 gi_1
3003 C5 C6 C4 H5 gi_1
3004 C2* O4* N1 C1* gi_2
3005 C3* C5* O4* C4* gi_2
3006 C3* C2* O3* C4* gi_2
3007 [ dihedrals ]
3008 ; ai aj ak al gromos type
3009 -C3* -O3* P O5* gd_20
3010 -C3* -O3* P O5* gd_27
3011 -O3* P O5* C5* gd_20
3012 -O3* P O5* C5* gd_27
3013 P O5* C5* C4* gd_7
3014 O5* C5* C4* O4* gd_8
3015 O5* C5* C4* O4* gd_25
3016 O5* C5* C4* C3* gd_17
3017 O5* C5* C4* C3* gd_34
3018 C3* C4* O4* C1* gd_29
3019 C5* C4* C3* C2* gd_34
3020 C5* C4* C3* O3* gd_17
3021 O4* C4* C3* C2* gd_17
3022 O4* C4* C3* O3* gd_18
3023 C4* O4* C1* C2* gd_29
3024 O4* C1* N1 C2 gd_16
3025 O4* C1* C2* C3* gd_17
3026 O4* C1* C2* C3* gd_34
3027 N3 C4 N4 H41 gd_14
3028 C1* C2* C3* C4* gd_34
3029 C1* C2* C3* O3* gd_17
3030 C4* C3* O3* +P gd_29
3032 [ DTHY ]
3033 [ atoms ]
3034 P P 0.99000 0
3035 O1P OM -0.63500 0
3036 O2P OM -0.63500 0
3037 O5* OA -0.36000 0
3038 C5* CH2 0.00000 1
3039 C4* CH1 0.16000 2
3040 O4* OA -0.36000 2
3041 C1* CH1 0.20000 2
3042 N1 NR -0.20000 3
3043 C6 C 0.10000 3
3044 H6 HC 0.10000 3
3045 C2 C 0.45000 4
3046 O2 O -0.45000 4
3047 N3 NR -0.31000 5
3048 H3 H 0.31000 5
3049 C4 C 0.45000 6
3050 O4 O -0.45000 6
3051 C5 C 0.00000 7
3052 C5M CH3 0.00000 7
3053 C2* CH2r 0.00000 8
3054 C3* CH1 0.000 8
3055 O3* OA -0.360 9
3056 [ bonds ]
3057 P O1P gb_24
3058 P O2P gb_24
3059 P O5* gb_28
3060 O5* C5* gb_20
3061 C5* C4* gb_26
3062 C4* O4* gb_20
3063 C4* C3* gb_26
3064 O4* C1* gb_20
3065 C1* N1 gb_23
3066 C1* C2* gb_26
3067 N1 C6 gb_17
3068 N1 C2 gb_17
3069 C6 H6 gb_3
3070 C6 C5 gb_16
3071 C2 O2 gb_5
3072 C2 N3 gb_17
3073 N3 H3 gb_2
3074 N3 C4 gb_17
3075 C4 O4 gb_5
3076 C4 C5 gb_16
3077 C5 C5M gb_27
3078 C2* C3* gb_26
3079 C3* O3* gb_20
3080 O3* +P gb_28
3081 [ exclusions ]
3082 ; ai aj
3083 C1* H6
3084 C1* O2
3085 C1* N3
3086 C1* C5
3087 N1 H3
3088 N1 C4
3089 N1 C5M
3090 C6 O2
3091 C6 N3
3092 C6 O4
3093 H6 C2
3094 H6 C4
3095 H6 C5M
3096 C2 O4
3097 C2 C5
3098 O2 H3
3099 O2 C4
3100 N3 C5M
3101 H3 O4
3102 H3 C5
3103 O4 C5M
3104 [ angles ]
3105 ; ai aj ak gromos type
3106 -O3* P O1P ga_14
3107 -O3* P O2P ga_14
3108 -O3* P O5* ga_5
3109 O1P P O2P ga_29
3110 O1P P O5* ga_14
3111 O2P P O5* ga_14
3112 P O5* C5* ga_26
3113 O5* C5* C4* ga_9
3114 C5* C4* O4* ga_9
3115 C5* C4* C3* ga_8
3116 O4* C4* C3* ga_9
3117 C4* O4* C1* ga_10
3118 O4* C1* N1 ga_9
3119 O4* C1* C2* ga_9
3120 N1 C1* C2* ga_8
3121 C1* N1 C6 ga_27
3122 C1* N1 C2 ga_27
3123 C6 N1 C2 ga_27
3124 N1 C6 H6 ga_25
3125 N1 C6 C5 ga_27
3126 H6 C6 C5 ga_25
3127 N1 C2 O2 ga_27
3128 N1 C2 N3 ga_27
3129 O2 C2 N3 ga_27
3130 C2 N3 H3 ga_25
3131 C2 N3 C4 ga_27
3132 H3 N3 C4 ga_25
3133 N3 C4 O4 ga_27
3134 N3 C4 C5 ga_27
3135 O4 C4 C5 ga_27
3136 C6 C5 C4 ga_27
3137 C6 C5 C5M ga_27
3138 C4 C5 C5M ga_27
3139 C1* C2* C3* ga_8
3140 C4* C3* C2* ga_8
3141 C4* C3* O3* ga_9
3142 C2* C3* O3* ga_9
3143 C3* O3* +P ga_26
3144 [ impropers ]
3145 ; ai aj ak al gromos type
3146 N1 C6 C2 C1* gi_1
3147 N1 C6 C5 C4 gi_1
3148 N1 C2 N3 C4 gi_1
3149 C6 N1 C2 N3 gi_1
3150 C6 N1 C5 H6 gi_1
3151 C2 N1 C6 C5 gi_1
3152 C2 N3 C4 C5 gi_1
3153 O2 N1 N3 C2 gi_1
3154 N3 C4 C5 C6 gi_1
3155 H3 C2 C4 N3 gi_1
3156 O4 N3 C5 C4 gi_1
3157 C5 C6 C4 C5M gi_1
3158 C2* O4* N1 C1* gi_2
3159 C3* C5* O4* C4* gi_2
3160 C3* C2* O3* C4* gi_2
3161 [ dihedrals ]
3162 ; ai aj ak al gromos type
3163 -C3* -O3* P O5* gd_20
3164 -C3* -O3* P O5* gd_27
3165 -O3* P O5* C5* gd_20
3166 -O3* P O5* C5* gd_27
3167 P O5* C5* C4* gd_7
3168 O5* C5* C4* O4* gd_8
3169 O5* C5* C4* O4* gd_25
3170 O5* C5* C4* C3* gd_17
3171 O5* C5* C4* C3* gd_34
3172 C3* C4* O4* C1* gd_29
3173 C5* C4* C3* C2* gd_34
3174 C5* C4* C3* O3* gd_17
3175 O4* C4* C3* C2* gd_17
3176 O4* C4* C3* O3* gd_18
3177 C4* O4* C1* C2* gd_29
3178 O4* C1* N1 C2 gd_16
3179 O4* C1* C2* C3* gd_17
3180 O4* C1* C2* C3* gd_34
3181 C1* C2* C3* C4* gd_34
3182 C1* C2* C3* O3* gd_17
3183 C4* C3* O3* +P gd_29
3185 [ ADE ]
3186 [ atoms ]
3187 P P 0.99000 0
3188 O1P OM -0.63500 0
3189 O2P OM -0.63500 0
3190 O5* OA -0.36000 0
3191 C5* CH2 0.00000 1
3192 C4* CH1 0.16000 2
3193 O4* OA -0.36000 2
3194 C1* CH1 0.20000 2
3195 N9 NR -0.20000 3
3196 C4 C 0.20000 3
3197 N3 NR -0.54000 4
3198 C2 C 0.44000 4
3199 H2 HC 0.10000 4
3200 N1 NR -0.54000 5
3201 C6 C 0.54000 5
3202 N6 NT -0.83000 6
3203 H61 H 0.41500 6
3204 H62 H 0.41500 6
3205 C5 C 0.00000 7
3206 N7 NR -0.54000 7
3207 C8 C 0.44000 7
3208 H8 HC 0.10000 7
3209 C2* CH1 0.15000 8
3210 O2* OA -0.54800 8
3211 H2* H 0.39800 8
3212 C3* CH1 0.000 9
3213 O3* OA -0.360 10
3214 [ bonds ]
3215 P O1P gb_24
3216 P O2P gb_24
3217 P O5* gb_28
3218 O5* C5* gb_20
3219 C5* C4* gb_26
3220 C4* O4* gb_20
3221 C4* C3* gb_26
3222 O4* C1* gb_20
3223 C1* N9 gb_22
3224 C1* C2* gb_26
3225 N9 C4 gb_10
3226 N9 C8 gb_10
3227 C4 N3 gb_12
3228 C4 C5 gb_16
3229 N3 C2 gb_7
3230 C2 H2 gb_3
3231 C2 N1 gb_7
3232 N1 C6 gb_12
3233 C6 N6 gb_9
3234 C6 C5 gb_16
3235 N6 H61 gb_2
3236 N6 H62 gb_2
3237 C5 N7 gb_10
3238 N7 C8 gb_10
3239 C8 H8 gb_3
3240 C2* O2* gb_20
3241 C2* C3* gb_26
3242 O2* H2* gb_1
3243 C3* O3* gb_20
3244 O3* +P gb_28
3245 [ exclusions ]
3246 ; ai aj
3247 C1* N3
3248 C1* C5
3249 C1* N7
3250 C1* H8
3251 N9 C2
3252 N9 C6
3253 C4 H2
3254 C4 N1
3255 C4 N6
3256 C4 H8
3257 N3 C6
3258 N3 N7
3259 N3 C8
3260 C2 N6
3261 C2 C5
3262 H2 C6
3263 N1 N7
3264 C6 C8
3265 N6 N7
3266 H61 N7
3267 H62 N7
3268 C5 H8
3269 [ angles ]
3270 ; ai aj ak gromos type
3271 -O3* P O1P ga_14
3272 -O3* P O2P ga_14
3273 -O3* P O5* ga_5
3274 O1P P O2P ga_29
3275 O1P P O5* ga_14
3276 O2P P O5* ga_14
3277 P O5* C5* ga_26
3278 O5* C5* C4* ga_9
3279 C5* C4* O4* ga_9
3280 C5* C4* C3* ga_8
3281 O4* C4* C3* ga_9
3282 C4* O4* C1* ga_10
3283 O4* C1* N9 ga_9
3284 O4* C1* C2* ga_9
3285 N9 C1* C2* ga_9
3286 C1* N9 C4 ga_37
3287 C1* N9 C8 ga_37
3288 C4 N9 C8 ga_7
3289 N9 C4 N3 ga_39
3290 N9 C4 C5 ga_7
3291 N3 C4 C5 ga_27
3292 C4 N3 C2 ga_27
3293 N3 C2 H2 ga_25
3294 N3 C2 N1 ga_27
3295 H2 C2 N1 ga_25
3296 C2 N1 C6 ga_27
3297 N1 C6 N6 ga_27
3298 N1 C6 C5 ga_27
3299 N6 C6 C5 ga_27
3300 C6 N6 H61 ga_23
3301 C6 N6 H62 ga_23
3302 H61 N6 H62 ga_24
3303 C4 C5 C6 ga_27
3304 C4 C5 N7 ga_7
3305 C6 C5 N7 ga_39
3306 C5 N7 C8 ga_7
3307 N9 C8 N7 ga_7
3308 N9 C8 H8 ga_36
3309 N7 C8 H8 ga_36
3310 C1* C2* O2* ga_9
3311 C1* C2* C3* ga_8
3312 O2* C2* C3* ga_9
3313 C2* O2* H2* ga_12
3314 C4* C3* C2* ga_8
3315 C4* C3* O3* ga_9
3316 C2* C3* O3* ga_9
3317 C3* O3* +P ga_26
3318 [ impropers ]
3319 ; ai aj ak al gromos type
3320 C1* C4 C8 N9 gi_1
3321 N9 C4 C5 N7 gi_1
3322 C4 N9 N3 C5 gi_1
3323 C4 N9 C8 N7 gi_1
3324 C4 N3 C2 N1 gi_1
3325 C4 C5 N7 C8 gi_1
3326 N3 C4 C5 C6 gi_1
3327 N3 C2 N1 C6 gi_1
3328 C2 N3 H2 N1 gi_1
3329 C2 N1 C6 C5 gi_1
3330 N1 C6 C5 C4 gi_1
3331 N6 N1 C5 C6 gi_1
3332 N6 H61 H62 C6 gi_1
3333 C5 C4 N3 C2 gi_1
3334 C5 C6 N7 C4 gi_1
3335 C5 N7 C8 N9 gi_1
3336 C8 N9 C4 C5 gi_1
3337 C8 N9 N7 H8 gi_1
3338 C2* O4* N9 C1* gi_2
3339 C2* O2* C3* C1* gi_2
3340 C3* C5* O4* C4* gi_2
3341 C3* C2* O3* C4* gi_2
3342 [ dihedrals ]
3343 ; ai aj ak al gromos type
3344 -C3* -O3* P O5* gd_20
3345 -C3* -O3* P O5* gd_27
3346 -O3* P O5* C5* gd_20
3347 -O3* P O5* C5* gd_27
3348 P O5* C5* C4* gd_7
3349 O5* C5* C4* O4* gd_8
3350 O5* C5* C4* O4* gd_25
3351 O5* C5* C4* C3* gd_17
3352 O5* C5* C4* C3* gd_34
3353 C3* C4* O4* C1* gd_29
3354 C5* C4* C3* C2* gd_34
3355 C5* C4* C3* O3* gd_17
3356 O4* C4* C3* C2* gd_17
3357 O4* C4* C3* O3* gd_18
3358 C4* O4* C1* C2* gd_29
3359 O4* C1* N9 C4 gd_16
3360 O4* C1* C2* O2* gd_18
3361 O4* C1* C2* C3* gd_17
3362 O4* C1* C2* C3* gd_34
3363 N9 C1* C2* O2* gd_17
3364 C5 C6 N6 H61 gd_14
3365 C1* C2* O2* H2* gd_23
3366 C1* C2* C3* C4* gd_34
3367 C1* C2* C3* O3* gd_17
3368 O2* C2* C3* C4* gd_17
3369 O2* C2* C3* O3* gd_18
3370 C4* C3* O3* +P gd_29
3372 [ GUA ]
3373 [ atoms ]
3374 P P 0.99000 0
3375 O1P OM -0.63500 0
3376 O2P OM -0.63500 0
3377 O5* OA -0.36000 0
3378 C5* CH2 0.00000 1
3379 C4* CH1 0.16000 2
3380 O4* OA -0.36000 2
3381 C1* CH1 0.20000 2
3382 N9 NR -0.20000 3
3383 C4 C 0.20000 3
3384 N3 NR -0.54000 4
3385 C2 C 0.54000 4
3386 N2 NT -0.83000 5
3387 H21 H 0.41500 5
3388 H22 H 0.41500 5
3389 N1 NR -0.31000 6
3390 H1 H 0.31000 6
3391 C6 C 0.45000 7
3392 O6 O -0.45000 7
3393 C5 C 0.00000 8
3394 N7 NR -0.54000 8
3395 C8 C 0.44000 8
3396 H8 HC 0.10000 8
3397 C2* CH1 0.15000 9
3398 O2* OA -0.54800 9
3399 H2* H 0.39800 9
3400 C3* CH1 0.000 10
3401 O3* OA -0.360 11
3402 [ bonds ]
3403 P O1P gb_24
3404 P O2P gb_24
3405 P O5* gb_28
3406 O5* C5* gb_20
3407 C5* C4* gb_26
3408 C4* O4* gb_20
3409 C4* C3* gb_26
3410 O4* C1* gb_20
3411 C1* N9 gb_22
3412 C1* C2* gb_26
3413 N9 C4 gb_10
3414 N9 C8 gb_10
3415 C4 N3 gb_12
3416 C4 C5 gb_16
3417 N3 C2 gb_12
3418 C2 N2 gb_9
3419 C2 N1 gb_17
3420 N2 H21 gb_2
3421 N2 H22 gb_2
3422 N1 H1 gb_2
3423 N1 C6 gb_17
3424 C6 O6 gb_5
3425 C6 C5 gb_16
3426 C5 N7 gb_10
3427 N7 C8 gb_10
3428 C8 H8 gb_3
3429 C2* O2* gb_20
3430 C2* C3* gb_26
3431 O2* H2* gb_1
3432 C3* O3* gb_20
3433 O3* +P gb_28
3434 [ exclusions ]
3435 ; ai aj
3436 C1* N3
3437 C1* C5
3438 C1* N7
3439 C1* H8
3440 N9 C2
3441 N9 C6
3442 C4 N2
3443 C4 N1
3444 C4 O6
3445 C4 H8
3446 N3 H1
3447 N3 C6
3448 N3 N7
3449 N3 C8
3450 C2 O6
3451 C2 C5
3452 N2 H1
3453 N2 C6
3454 N1 N7
3455 H1 O6
3456 H1 C5
3457 C6 C8
3458 O6 N7
3459 C5 H8
3460 [ angles ]
3461 ; ai aj ak gromos type
3462 -O3* P O1P ga_14
3463 -O3* P O2P ga_14
3464 -O3* P O5* ga_5
3465 O1P P O2P ga_29
3466 O1P P O5* ga_14
3467 O2P P O5* ga_14
3468 P O5* C5* ga_26
3469 O5* C5* C4* ga_9
3470 C5* C4* O4* ga_9
3471 C5* C4* C3* ga_8
3472 O4* C4* C3* ga_9
3473 C4* O4* C1* ga_10
3474 O4* C1* N9 ga_9
3475 O4* C1* C2* ga_9
3476 N9 C1* C2* ga_9
3477 C1* N9 C4 ga_37
3478 C1* N9 C8 ga_37
3479 C4 N9 C8 ga_7
3480 N9 C4 N3 ga_39
3481 N9 C4 C5 ga_7
3482 N3 C4 C5 ga_27
3483 C4 N3 C2 ga_27
3484 N3 C2 N2 ga_27
3485 N3 C2 N1 ga_27
3486 N2 C2 N1 ga_27
3487 C2 N2 H21 ga_23
3488 C2 N2 H22 ga_23
3489 H21 N2 H22 ga_24
3490 C2 N1 H1 ga_25
3491 C2 N1 C6 ga_27
3492 H1 N1 C6 ga_25
3493 N1 C6 O6 ga_27
3494 N1 C6 C5 ga_27
3495 O6 C6 C5 ga_27
3496 C4 C5 C6 ga_27
3497 C4 C5 N7 ga_7
3498 C6 C5 N7 ga_39
3499 C5 N7 C8 ga_7
3500 N9 C8 N7 ga_7
3501 N9 C8 H8 ga_36
3502 N7 C8 H8 ga_36
3503 C1* C2* O2* ga_9
3504 C1* C2* C3* ga_8
3505 O2* C2* C3* ga_9
3506 C2* O2* H2* ga_12
3507 C4* C3* C2* ga_8
3508 C4* C3* O3* ga_9
3509 C2* C3* O3* ga_9
3510 C3* O3* +P ga_26
3511 [ impropers ]
3512 ; ai aj ak al gromos type
3513 C1* C4 C8 N9 gi_1
3514 N9 C4 C5 N7 gi_1
3515 C4 N9 N3 C5 gi_1
3516 C4 N9 C8 N7 gi_1
3517 C4 N3 C2 N1 gi_1
3518 C4 C5 N7 C8 gi_1
3519 N3 C4 C5 C6 gi_1
3520 N3 C2 N1 C6 gi_1
3521 C2 N1 C6 C5 gi_1
3522 N2 N3 N1 C2 gi_1
3523 N2 H21 H22 C2 gi_1
3524 N1 C6 C5 C4 gi_1
3525 H1 C2 C6 N1 gi_1
3526 O6 N1 C5 C6 gi_1
3527 C5 C4 N3 C2 gi_1
3528 C5 C6 N7 C4 gi_1
3529 C5 N7 C8 N9 gi_1
3530 C8 N9 C4 C5 gi_1
3531 C8 N9 N7 H8 gi_1
3532 C2* O4* N9 C1* gi_2
3533 C2* O2* C3* C1* gi_2
3534 C3* C5* O4* C4* gi_2
3535 C3* C2* O3* C4* gi_2
3536 [ dihedrals ]
3537 ; ai aj ak al gromos type
3538 -C3* -O3* P O5* gd_20
3539 -C3* -O3* P O5* gd_27
3540 -O3* P O5* C5* gd_20
3541 -O3* P O5* C5* gd_27
3542 P O5* C5* C4* gd_7
3543 O5* C5* C4* O4* gd_8
3544 O5* C5* C4* O4* gd_25
3545 O5* C5* C4* C3* gd_17
3546 O5* C5* C4* C3* gd_34
3547 C3* C4* O4* C1* gd_29
3548 C5* C4* C3* C2* gd_34
3549 C5* C4* C3* O3* gd_17
3550 O4* C4* C3* C2* gd_17
3551 O4* C4* C3* O3* gd_18
3552 C4* O4* C1* C2* gd_29
3553 O4* C1* N9 C4 gd_16
3554 O4* C1* C2* O2* gd_18
3555 O4* C1* C2* C3* gd_17
3556 O4* C1* C2* C3* gd_34
3557 N9 C1* C2* O2* gd_17
3558 N3 C2 N2 H21 gd_14
3559 C1* C2* O2* H2* gd_23
3560 C1* C2* C3* C4* gd_34
3561 C1* C2* C3* O3* gd_17
3562 O2* C2* C3* C4* gd_17
3563 O2* C2* C3* O3* gd_18
3564 C4* C3* O3* +P gd_29
3566 [ CYT ]
3567 [ atoms ]
3568 P P 0.99000 0
3569 O1P OM -0.63500 0
3570 O2P OM -0.63500 0
3571 O5* OA -0.36000 0
3572 C5* CH2 0.00000 1
3573 C4* CH1 0.16000 2
3574 O4* OA -0.36000 2
3575 C1* CH1 0.20000 2
3576 N1 NR -0.20000 3
3577 C6 C 0.10000 3
3578 H6 HC 0.10000 3
3579 C2 C 0.45000 4
3580 O2 O -0.45000 4
3581 N3 NR -0.54000 5
3582 C4 C 0.54000 5
3583 N4 NT -0.83000 6
3584 H41 H 0.41500 6
3585 H42 H 0.41500 6
3586 C5 C -0.10000 7
3587 H5 HC 0.10000 7
3588 C2* CH1 0.15000 8
3589 O2* OA -0.54800 8
3590 H2* H 0.39800 8
3591 C3* CH1 0.000 9
3592 O3* OA -0.360 10
3593 [ bonds ]
3594 P O1P gb_24
3595 P O2P gb_24
3596 P O5* gb_28
3597 O5* C5* gb_20
3598 C5* C4* gb_26
3599 C4* O4* gb_20
3600 C4* C3* gb_26
3601 O4* C1* gb_20
3602 C1* N1 gb_23
3603 C1* C2* gb_26
3604 N1 C6 gb_17
3605 N1 C2 gb_17
3606 C6 H6 gb_3
3607 C6 C5 gb_16
3608 C2 O2 gb_5
3609 C2 N3 gb_12
3610 N3 C4 gb_12
3611 C4 N4 gb_9
3612 C4 C5 gb_16
3613 N4 H41 gb_2
3614 N4 H42 gb_2
3615 C5 H5 gb_3
3616 C2* O2* gb_20
3617 C2* C3* gb_26
3618 O2* H2* gb_1
3619 C3* O3* gb_20
3620 O3* +P gb_28
3621 [ exclusions ]
3622 ; ai aj
3623 C1* H6
3624 C1* O2
3625 C1* N3
3626 C1* C5
3627 N1 C4
3628 N1 H5
3629 C6 O2
3630 C6 N3
3631 C6 N4
3632 H6 C2
3633 H6 C4
3634 H6 H5
3635 C2 N4
3636 C2 C5
3637 O2 C4
3638 N3 H5
3639 N4 H5
3640 [ angles ]
3641 ; ai aj ak gromos type
3642 -O3* P O1P ga_14
3643 -O3* P O2P ga_14
3644 -O3* P O5* ga_5
3645 O1P P O2P ga_29
3646 O1P P O5* ga_14
3647 O2P P O5* ga_14
3648 P O5* C5* ga_26
3649 O5* C5* C4* ga_9
3650 C5* C4* O4* ga_9
3651 C5* C4* C3* ga_8
3652 O4* C4* C3* ga_9
3653 C4* O4* C1* ga_10
3654 O4* C1* N1 ga_9
3655 O4* C1* C2* ga_9
3656 N1 C1* C2* ga_8
3657 C1* N1 C6 ga_27
3658 C1* N1 C2 ga_27
3659 C6 N1 C2 ga_27
3660 N1 C6 H6 ga_25
3661 N1 C6 C5 ga_27
3662 H6 C6 C5 ga_25
3663 N1 C2 O2 ga_27
3664 N1 C2 N3 ga_27
3665 O2 C2 N3 ga_27
3666 C2 N3 C4 ga_27
3667 N3 C4 N4 ga_27
3668 N3 C4 C5 ga_27
3669 N4 C4 C5 ga_27
3670 C4 N4 H41 ga_23
3671 C4 N4 H42 ga_23
3672 H41 N4 H42 ga_24
3673 C6 C5 C4 ga_27
3674 C6 C5 H5 ga_25
3675 C4 C5 H5 ga_25
3676 C1* C2* O2* ga_9
3677 C1* C2* C3* ga_8
3678 O2* C2* C3* ga_9
3679 C2* O2* H2* ga_12
3680 C4* C3* C2* ga_8
3681 C4* C3* O3* ga_9
3682 C2* C3* O3* ga_9
3683 C3* O3* +P ga_26
3684 [ impropers ]
3685 ; ai aj ak al gromos type
3686 N1 C6 C2 C1* gi_1
3687 N1 C6 C5 C4 gi_1
3688 N1 C2 N3 C4 gi_1
3689 C6 N1 C2 N3 gi_1
3690 C6 N1 C5 H6 gi_1
3691 C2 N1 C6 C5 gi_1
3692 C2 N3 C4 C5 gi_1
3693 O2 N1 N3 C2 gi_1
3694 N3 C4 C5 C6 gi_1
3695 N4 N3 C5 C4 gi_1
3696 N4 H41 H42 C4 gi_1
3697 C5 C6 C4 H5 gi_1
3698 C2* O4* N1 C1* gi_2
3699 C2* O2* C3* C1* gi_2
3700 C3* C5* O4* C4* gi_2
3701 C3* C2* O3* C4* gi_2
3702 [ dihedrals ]
3703 ; ai aj ak al gromos type
3704 -C3* -O3* P O5* gd_20
3705 -C3* -O3* P O5* gd_27
3706 -O3* P O5* C5* gd_20
3707 -O3* P O5* C5* gd_27
3708 P O5* C5* C4* gd_7
3709 O5* C5* C4* O4* gd_8
3710 O5* C5* C4* O4* gd_25
3711 O5* C5* C4* C3* gd_17
3712 O5* C5* C4* C3* gd_34
3713 C3* C4* O4* C1* gd_29
3714 C5* C4* C3* C2* gd_34
3715 C5* C4* C3* O3* gd_17
3716 O4* C4* C3* C2* gd_17
3717 O4* C4* C3* O3* gd_18
3718 C4* O4* C1* C2* gd_29
3719 O4* C1* N1 C2 gd_16
3720 O4* C1* C2* O2* gd_18
3721 O4* C1* C2* C3* gd_17
3722 O4* C1* C2* C3* gd_34
3723 N1 C1* C2* O2* gd_17
3724 N3 C4 N4 H41 gd_14
3725 C1* C2* O2* H2* gd_23
3726 C1* C2* C3* C4* gd_34
3727 C1* C2* C3* O3* gd_17
3728 O2* C2* C3* C4* gd_17
3729 O2* C2* C3* O3* gd_18
3730 C4* C3* O3* +P gd_29
3732 [ URA ]
3733 [ atoms ]
3734 P P 0.99000 0
3735 O1P OM -0.63500 0
3736 O2P OM -0.63500 0
3737 O5* OA -0.36000 0
3738 C5* CH2 0.00000 1
3739 C4* CH1 0.16000 2
3740 O4* OA -0.36000 2
3741 C1* CH1 0.20000 2
3742 N1 NR -0.20000 3
3743 C6 C 0.10000 3
3744 H6 HC 0.10000 3
3745 C2 C 0.45000 4
3746 O2 O -0.45000 4
3747 N3 NR -0.31000 5
3748 H3 H 0.31000 5
3749 C4 C 0.45000 6
3750 O4 O -0.45000 6
3751 C5 C -0.10000 7
3752 H5 HC 0.10000 7
3753 C2* CH1 0.15000 8
3754 O2* OA -0.54800 8
3755 H2* H 0.39800 8
3756 C3* CH1 0.000 9
3757 O3* OA -0.360 10
3758 [ bonds ]
3759 P O1P gb_24
3760 P O2P gb_24
3761 P O5* gb_28
3762 O5* C5* gb_20
3763 C5* C4* gb_26
3764 C4* O4* gb_20
3765 C4* C3* gb_26
3766 O4* C1* gb_20
3767 C1* N1 gb_23
3768 C1* C2* gb_26
3769 N1 C6 gb_17
3770 N1 C2 gb_17
3771 C6 H6 gb_3
3772 C6 C5 gb_16
3773 C2 O2 gb_5
3774 C2 N3 gb_17
3775 N3 H3 gb_2
3776 N3 C4 gb_17
3777 C4 O4 gb_5
3778 C4 C5 gb_16
3779 C5 H5 gb_3
3780 C2* O2* gb_20
3781 C2* C3* gb_26
3782 O2* H2* gb_1
3783 C3* O3* gb_20
3784 O3* +P gb_28
3785 [ exclusions ]
3786 ; ai aj
3787 C1* H6
3788 C1* O2
3789 C1* N3
3790 C1* C5
3791 N1 H3
3792 N1 C4
3793 N1 H5
3794 C6 O2
3795 C6 N3
3796 C6 O4
3797 H6 C2
3798 H6 C4
3799 H6 H5
3800 C2 O4
3801 C2 C5
3802 O2 H3
3803 O2 C4
3804 N3 H5
3805 H3 O4
3806 H3 C5
3807 O4 H5
3808 H5 -O3*
3809 O2* O3*
3810 [ angles ]
3811 ; ai aj ak gromos type
3812 -O3* P O1P ga_14
3813 -O3* P O2P ga_14
3814 -O3* P O5* ga_5
3815 O1P P O2P ga_29
3816 O1P P O5* ga_14
3817 O2P P O5* ga_14
3818 P O5* C5* ga_26
3819 O5* C5* C4* ga_9
3820 C5* C4* O4* ga_9
3821 C5* C4* C3* ga_8
3822 O4* C4* C3* ga_9
3823 C4* O4* C1* ga_10
3824 O4* C1* N1 ga_9
3825 O4* C1* C2* ga_9
3826 N1 C1* C2* ga_8
3827 C1* N1 C6 ga_27
3828 C1* N1 C2 ga_27
3829 C6 N1 C2 ga_27
3830 N1 C6 H6 ga_25
3831 N1 C6 C5 ga_27
3832 H6 C6 C5 ga_25
3833 N1 C2 O2 ga_27
3834 N1 C2 N3 ga_27
3835 O2 C2 N3 ga_27
3836 C2 N3 H3 ga_25
3837 C2 N3 C4 ga_27
3838 H3 N3 C4 ga_25
3839 N3 C4 O4 ga_27
3840 N3 C4 C5 ga_27
3841 O4 C4 C5 ga_27
3842 C6 C5 C4 ga_27
3843 C6 C5 H5 ga_25
3844 C4 C5 H5 ga_25
3845 C1* C2* O2* ga_9
3846 C1* C2* C3* ga_8
3847 O2* C2* C3* ga_9
3848 C2* O2* H2* ga_12
3849 C4* C3* C2* ga_8
3850 C4* C3* O3* ga_9
3851 C2* C3* O3* ga_9
3852 C3* O3* +P ga_26
3853 [ impropers ]
3854 ; ai aj ak al gromos type
3855 N1 C6 C2 C1* gi_1
3856 N1 C6 C5 C4 gi_1
3857 N1 C2 N3 C4 gi_1
3858 C6 N1 C2 N3 gi_1
3859 C6 N1 C5 H6 gi_1
3860 C2 N1 C6 C5 gi_1
3861 C2 N3 C4 C5 gi_1
3862 O2 N1 N3 C2 gi_1
3863 N3 C4 C5 C6 gi_1
3864 H3 C2 C4 N3 gi_1
3865 O4 N3 C5 C4 gi_1
3866 C5 C6 C4 H5 gi_1
3867 C2* O4* N1 C1* gi_2
3868 C2* O2* C3* C1* gi_2
3869 C3* C5* O4* C4* gi_2
3870 C3* C2* O3* C4* gi_2
3871 [ dihedrals ]
3872 ; ai aj ak al gromos type
3873 -C3* -O3* P O5* gd_20
3874 -C3* -O3* P O5* gd_27
3875 -O3* P O5* C5* gd_20
3876 -O3* P O5* C5* gd_27
3877 P O5* C5* C4* gd_7
3878 O5* C5* C4* O4* gd_8
3879 O5* C5* C4* O4* gd_25
3880 O5* C5* C4* C3* gd_17
3881 O5* C5* C4* C3* gd_34
3882 C3* C4* O4* C1* gd_29
3883 C5* C4* C3* C2* gd_34
3884 C5* C4* C3* O3* gd_17
3885 O4* C4* C3* C2* gd_17
3886 O4* C4* C3* O3* gd_18
3887 C4* O4* C1* C2* gd_29
3888 O4* C1* N1 C2 gd_16
3889 O4* C1* C2* O2* gd_18
3890 O4* C1* C2* C3* gd_17
3891 O4* C1* C2* C3* gd_34
3892 N1 C1* C2* O2* gd_17
3893 C1* C2* O2* H2* gd_23
3894 C1* C2* C3* C4* gd_34
3895 C1* C2* C3* O3* gd_17
3896 O2* C2* C3* C4* gd_17
3897 O2* C2* C3* O3* gd_18
3898 C4* C3* O3* +P gd_29
3900 [ FMNO ]
3901 [ atoms ]
3902 FC9A C 0.20000 0
3903 FN10 NR -0.20000 0
3904 FC10A C 0.36000 1
3905 FN1 NR -0.36000 1
3906 FC2 C 0.38000 2
3907 FO2 O -0.38000 2
3908 FN3 NR -0.28000 3
3909 FH3 H 0.28000 3
3910 FC4 C 0.38000 4
3911 FO4 O -0.38000 4
3912 FC4A C 0.18000 5
3913 FN5 NR -0.28000 5
3914 FC5A C 0.10000 5
3915 FC6 CR1 0.00000 6
3916 FC7 C 0.00000 7
3917 FCM7 CH3 0.00000 7
3918 FC8 C 0.00000 8
3919 FCM8 CH3 0.00000 8
3920 FC9 CR1 0.00000 9
3921 FCA CH2 0.00000 10
3922 FCB CH1 0.15000 11
3923 FOB OA -0.54800 11
3924 FHB H 0.39800 11
3925 FCG CH1 0.15000 12
3926 FOG OA -0.54800 12
3927 FHG H 0.39800 12
3928 FCD CH1 0.15000 13
3929 FOD OA -0.54800 13
3930 FHD H 0.39800 13
3931 FCE CH2 0.15000 14
3932 FOZ OA -0.36000 14
3933 FPH P 0.63000 14
3934 FOH OA -0.54800 14
3935 FHH H 0.39800 14
3936 FOT1 OM -0.63500 14
3937 FOT2 OM -0.63500 14
3938 [ bonds ]
3939 FC9A FN10 gb_17
3940 FC9A FC5A gb_16
3941 FC9A FC9 gb_16
3942 FN10 FC10A gb_17
3943 FN10 FCA gb_23
3944 FC10A FN1 gb_12
3945 FC10A FC4A gb_16
3946 FN1 FC2 gb_12
3947 FC2 FO2 gb_5
3948 FC2 FN3 gb_17
3949 FN3 FH3 gb_2
3950 FN3 FC4 gb_17
3951 FC4 FO4 gb_5
3952 FC4 FC4A gb_16
3953 FC4A FN5 gb_12
3954 FN5 FC5A gb_12
3955 FC5A FC6 gb_16
3956 FC6 FC7 gb_16
3957 FC7 FCM7 gb_27
3958 FC7 FC8 gb_16
3959 FC8 FCM8 gb_27
3960 FC8 FC9 gb_16
3961 FCA FCB gb_27
3962 FCB FOB gb_18
3963 FCB FCG gb_27
3964 FOB FHB gb_1
3965 FCG FOG gb_18
3966 FCG FCD gb_27
3967 FOG FHG gb_1
3968 FCD FOD gb_18
3969 FCD FCE gb_27
3970 FOD FHD gb_1
3971 FCE FOZ gb_18
3972 FOZ FPH gb_28
3973 FPH FOH gb_28
3974 FPH FOT1 gb_24
3975 FPH FOT2 gb_24
3976 FOH FHH gb_1
3977 [ exclusions ]
3978 ; ai aj
3979 FC9A FN1
3980 FC9A FC4A
3981 FC9A FC7
3982 FC9A FCM8
3983 FN10 FC2
3984 FN10 FC4
3985 FN10 FN5
3986 FN10 FC6
3987 FN10 FC8
3988 FC10A FO2
3989 FC10A FN3
3990 FC10A FO4
3991 FC10A FC5A
3992 FC10A FC9
3993 FN1 FH3
3994 FN1 FC4
3995 FN1 FN5
3996 FN1 FCA
3997 FC2 FO4
3998 FC2 FC4A
3999 FO2 FH3
4000 FO2 FC4
4001 FN3 FN5
4002 FH3 FO4
4003 FH3 FC4A
4004 FC4 FC5A
4005 FO4 FN5
4006 FC4A FC6
4007 FC4A FCA
4008 FN5 FC7
4009 FN5 FC9
4010 FC5A FCM7
4011 FC5A FC8
4012 FC5A FCA
4013 FC6 FCM8
4014 FC6 FC9
4015 FCM7 FCM8
4016 FCM7 FC9
4017 FC9 FCA
4018 FOZ FHH
4019 FHH FOT1
4020 FHH FOT2
4021 [ angles ]
4022 ; ai aj ak gromos type
4023 FN10 FC9A FC5A ga_27
4024 FN10 FC9A FC9 ga_27
4025 FC5A FC9A FC9 ga_27
4026 FC9A FN10 FC10A ga_27
4027 FC9A FN10 FCA ga_27
4028 FC10A FN10 FCA ga_27
4029 FN10 FC10A FN1 ga_27
4030 FN10 FC10A FC4A ga_27
4031 FN1 FC10A FC4A ga_27
4032 FC10A FN1 FC2 ga_27
4033 FN1 FC2 FO2 ga_27
4034 FN1 FC2 FN3 ga_27
4035 FO2 FC2 FN3 ga_27
4036 FC2 FN3 FH3 ga_25
4037 FC2 FN3 FC4 ga_27
4038 FH3 FN3 FC4 ga_25
4039 FN3 FC4 FO4 ga_27
4040 FN3 FC4 FC4A ga_27
4041 FO4 FC4 FC4A ga_27
4042 FC10A FC4A FC4 ga_27
4043 FC10A FC4A FN5 ga_27
4044 FC4 FC4A FN5 ga_27
4045 FC4A FN5 FC5A ga_27
4046 FC9A FC5A FN5 ga_27
4047 FC9A FC5A FC6 ga_27
4048 FN5 FC5A FC6 ga_27
4049 FC5A FC6 FC7 ga_27
4050 FC6 FC7 FCM7 ga_27
4051 FC6 FC7 FC8 ga_27
4052 FCM7 FC7 FC8 ga_27
4053 FC7 FC8 FCM8 ga_27
4054 FC7 FC8 FC9 ga_27
4055 FCM8 FC8 FC9 ga_27
4056 FC9A FC9 FC8 ga_27
4057 FN10 FCA FCB ga_15
4058 FCA FCB FOB ga_15
4059 FCA FCB FCG ga_15
4060 FOB FCB FCG ga_13
4061 FCB FOB FHB ga_12
4062 FCB FCG FOG ga_13
4063 FCB FCG FCD ga_15
4064 FOG FCG FCD ga_13
4065 FCG FOG FHG ga_12
4066 FCG FCD FOD ga_13
4067 FCG FCD FCE ga_15
4068 FOD FCD FCE ga_15
4069 FCD FOD FHD ga_12
4070 FCD FCE FOZ ga_15
4071 FCE FOZ FPH ga_26
4072 FOZ FPH FOH ga_5
4073 FOZ FPH FOT1 ga_14
4074 FOZ FPH FOT2 ga_14
4075 FOH FPH FOT1 ga_14
4076 FOH FPH FOT2 ga_14
4077 FOT1 FPH FOT2 ga_29
4078 FPH FOH FHH ga_12
4079 [ impropers ]
4080 ; ai aj ak al gromos type
4081 FC9A FN10 FC9 FC5A gi_1
4082 FC9A FC5A FC6 FC7 gi_1
4083 FN10 FC9A FC5A FN5 gi_1
4084 FN10 FC10A FC4A FN5 gi_1
4085 FC10A FN1 FC2 FN3 gi_1
4086 FN1 FC10A FC4A FC4 gi_1
4087 FN1 FC2 FN3 FC4 gi_1
4088 FC2 FN1 FN3 FO2 gi_1
4089 FC2 FN3 FC4 FC4A gi_1
4090 FN3 FC2 FC4 FH3 gi_1
4091 FN3 FC4 FC4A FC10A gi_1
4092 FC4 FN3 FC4A FO4 gi_1
4093 FC4A FN10 FN1 FC10A gi_1
4094 FC4A FC10A FN1 FC2 gi_1
4095 FC4A FC4 FN5 FC10A gi_1
4096 FC5A FC9A FC9 FC8 gi_1
4097 FC5A FN5 FC6 FC9A gi_1
4098 FC5A FC6 FC7 FC8 gi_1
4099 FC6 FC7 FC8 FC9 gi_1
4100 FC7 FC6 FC8 FCM7 gi_1
4101 FC7 FC8 FC9 FC9A gi_1
4102 FC8 FC7 FC9 FCM8 gi_1
4103 FC9 FC9A FC5A FC6 gi_1
4104 FCB FOB FCG FCA gi_2
4105 FCG FOG FCD FCB gi_2
4106 FCD FOD FCE FCG gi_2
4107 [ dihedrals ]
4108 ; ai aj ak al gromos type
4109 FC5A FC9A FN10 FC10A gd_14
4110 FC9A FN10 FC10A FC4A gd_14
4111 FC9A FN10 FCA FCB gd_40
4112 FC10A FC4A FN5 FC5A gd_14
4113 FC4A FN5 FC5A FC9A gd_14
4114 FN10 FCA FCB FCG gd_34
4115 FCA FCB FOB FHB gd_23
4116 FCA FCB FCG FCD gd_34
4117 FCB FCG FOG FHG gd_23
4118 FCB FCG FCD FCE gd_34
4119 FCG FCD FOD FHD gd_23
4120 FCG FCD FCE FOZ gd_34
4121 FCD FCE FOZ FPH gd_29
4122 FCE FOZ FPH FOH gd_19
4123 FCE FOZ FPH FOH gd_22
4124 FOZ FPH FOH FHH gd_19
4125 FOZ FPH FOH FHH gd_22
4127 [ FMNS ]
4128 [ atoms ]
4129 FC9A C 0.20000 0
4130 FN10 NR -0.20000 0
4131 FC10A C 0.36000 1
4132 FN1 NR -0.36000 1
4133 FC2 C 0.38000 2
4134 FO2 O -0.38000 2
4135 FN3 NR -0.28000 3
4136 FH3 H 0.28000 3
4137 FC4 C 0.38000 4
4138 FO4 O -0.38000 4
4139 FC4A C 0.00000 5
4140 FN5 NR -0.28000 6
4141 FH5 H 0.28000 6
4142 FC5A C 0.00000 7
4143 FC6 CR1 0.00000 8
4144 FC7 C 0.00000 9
4145 FCM7 CH3 0.00000 9
4146 FC8 C 0.00000 10
4147 FCM8 CH3 0.00000 10
4148 FC9 CR1 0.00000 11
4149 FCA CH2 0.00000 12
4150 FCB CH1 0.15000 13
4151 FOB OA -0.54800 13
4152 FHB H 0.39800 13
4153 FCG CH1 0.15000 14
4154 FOG OA -0.54800 14
4155 FHG H 0.39800 14
4156 FCD CH1 0.15000 15
4157 FOD OA -0.54800 15
4158 FHD H 0.39800 15
4159 FCE CH2 0.15000 16
4160 FOZ OA -0.36000 16
4161 FPH P 0.63000 16
4162 FOH OA -0.54800 16
4163 FHH H 0.39800 16
4164 FOT1 OM -0.63500 16
4165 FOT2 OM -0.63500 16
4166 [ bonds ]
4167 FC9A FN10 gb_17
4168 FC9A FC5A gb_16
4169 FC9A FC9 gb_16
4170 FN10 FC10A gb_17
4171 FN10 FCA gb_23
4172 FC10A FN1 gb_12
4173 FC10A FC4A gb_16
4174 FN1 FC2 gb_12
4175 FC2 FO2 gb_5
4176 FC2 FN3 gb_17
4177 FN3 FH3 gb_2
4178 FN3 FC4 gb_17
4179 FC4 FO4 gb_5
4180 FC4 FC4A gb_16
4181 FC4A FN5 gb_17
4182 FN5 FH5 gb_2
4183 FN5 FC5A gb_17
4184 FC5A FC6 gb_16
4185 FC6 FC7 gb_16
4186 FC7 FCM7 gb_27
4187 FC7 FC8 gb_16
4188 FC8 FCM8 gb_27
4189 FC8 FC9 gb_16
4190 FCA FCB gb_27
4191 FCB FOB gb_18
4192 FCB FCG gb_27
4193 FOB FHB gb_1
4194 FCG FOG gb_18
4195 FCG FCD gb_27
4196 FOG FHG gb_1
4197 FCD FOD gb_18
4198 FCD FCE gb_27
4199 FOD FHD gb_1
4200 FCE FOZ gb_18
4201 FOZ FPH gb_28
4202 FPH FOH gb_28
4203 FPH FOT1 gb_24
4204 FPH FOT2 gb_24
4205 FOH FHH gb_1
4206 [ exclusions ]
4207 ; ai aj
4208 FC9A FN1
4209 FC9A FC4A
4210 FC9A FH5
4211 FC9A FC7
4212 FC9A FCM8
4213 FN10 FC2
4214 FN10 FC4
4215 FN10 FN5
4216 FN10 FC6
4217 FN10 FC8
4218 FC10A FO2
4219 FC10A FN3
4220 FC10A FO4
4221 FC10A FH5
4222 FC10A FC5A
4223 FC10A FC9
4224 FN1 FH3
4225 FN1 FC4
4226 FN1 FN5
4227 FN1 FCA
4228 FC2 FO4
4229 FC2 FC4A
4230 FO2 FH3
4231 FO2 FC4
4232 FN3 FN5
4233 FH3 FO4
4234 FH3 FC4A
4235 FC4 FH5
4236 FC4 FC5A
4237 FO4 FN5
4238 FC4A FC6
4239 FC4A FCA
4240 FN5 FC7
4241 FN5 FC9
4242 FH5 FC6
4243 FC5A FCM7
4244 FC5A FC8
4245 FC5A FCA
4246 FC6 FCM8
4247 FC6 FC9
4248 FCM7 FCM8
4249 FCM7 FC9
4250 FC9 FCA
4251 FOZ FHH
4252 FHH FOT1
4253 FHH FOT2
4254 [ angles ]
4255 ; ai aj ak gromos type
4256 FN10 FC9A FC5A ga_27
4257 FN10 FC9A FC9 ga_27
4258 FC5A FC9A FC9 ga_27
4259 FC9A FN10 FC10A ga_27
4260 FC9A FN10 FCA ga_27
4261 FC10A FN10 FCA ga_27
4262 FN10 FC10A FN1 ga_27
4263 FN10 FC10A FC4A ga_27
4264 FN1 FC10A FC4A ga_27
4265 FC10A FN1 FC2 ga_27
4266 FN1 FC2 FO2 ga_27
4267 FN1 FC2 FN3 ga_27
4268 FO2 FC2 FN3 ga_27
4269 FC2 FN3 FH3 ga_25
4270 FC2 FN3 FC4 ga_27
4271 FH3 FN3 FC4 ga_25
4272 FN3 FC4 FO4 ga_27
4273 FN3 FC4 FC4A ga_27
4274 FO4 FC4 FC4A ga_27
4275 FC10A FC4A FC4 ga_27
4276 FC10A FC4A FN5 ga_27
4277 FC4 FC4A FN5 ga_27
4278 FC4A FN5 FH5 ga_25
4279 FC4A FN5 FC5A ga_27
4280 FH5 FN5 FC5A ga_25
4281 FC9A FC5A FN5 ga_27
4282 FC9A FC5A FC6 ga_27
4283 FN5 FC5A FC6 ga_27
4284 FC5A FC6 FC7 ga_27
4285 FC6 FC7 FCM7 ga_27
4286 FC6 FC7 FC8 ga_27
4287 FCM7 FC7 FC8 ga_27
4288 FC7 FC8 FCM8 ga_27
4289 FC7 FC8 FC9 ga_27
4290 FCM8 FC8 FC9 ga_27
4291 FC9A FC9 FC8 ga_27
4292 FN10 FCA FCB ga_15
4293 FCA FCB FOB ga_15
4294 FCA FCB FCG ga_15
4295 FOB FCB FCG ga_13
4296 FCB FOB FHB ga_12
4297 FCB FCG FOG ga_13
4298 FCB FCG FCD ga_15
4299 FOG FCG FCD ga_13
4300 FCG FOG FHG ga_12
4301 FCG FCD FOD ga_13
4302 FCG FCD FCE ga_15
4303 FOD FCD FCE ga_15
4304 FCD FOD FHD ga_12
4305 FCD FCE FOZ ga_15
4306 FCE FOZ FPH ga_26
4307 FOZ FPH FOH ga_5
4308 FOZ FPH FOT1 ga_14
4309 FOZ FPH FOT2 ga_14
4310 FOH FPH FOT1 ga_14
4311 FOH FPH FOT2 ga_14
4312 FOT1 FPH FOT2 ga_29
4313 FPH FOH FHH ga_12
4314 [ impropers ]
4315 ; ai aj ak al gromos type
4316 FC9A FN10 FC9 FC5A gi_1
4317 FC9A FC5A FC6 FC7 gi_1
4318 FN10 FC9A FC5A FN5 gi_1
4319 FN10 FC10A FC4A FN5 gi_1
4320 FC10A FN1 FC2 FN3 gi_1
4321 FN1 FC10A FC4A FC4 gi_1
4322 FN1 FC2 FN3 FC4 gi_1
4323 FC2 FN1 FN3 FO2 gi_1
4324 FC2 FN3 FC4 FC4A gi_1
4325 FN3 FC2 FC4 FH3 gi_1
4326 FN3 FC4 FC4A FC10A gi_1
4327 FC4 FN3 FC4A FO4 gi_1
4328 FC4A FN10 FN1 FC10A gi_1
4329 FC4A FC10A FN1 FC2 gi_1
4330 FC4A FC4 FN5 FC10A gi_1
4331 FC5A FC9A FC9 FC8 gi_1
4332 FC5A FN5 FC6 FC9A gi_1
4333 FC5A FC6 FC7 FC8 gi_1
4334 FC6 FC7 FC8 FC9 gi_1
4335 FC7 FC6 FC8 FCM7 gi_1
4336 FC7 FC8 FC9 FC9A gi_1
4337 FC8 FC7 FC9 FCM8 gi_1
4338 FC9 FC9A FC5A FC6 gi_1
4339 FCB FOB FCG FCA gi_2
4340 FCG FOG FCD FCB gi_2
4341 FCD FOD FCE FCG gi_2
4342 [ dihedrals ]
4343 ; ai aj ak al gromos type
4344 FC5A FC9A FN10 FC10A gd_14
4345 FC9A FN10 FC10A FC4A gd_14
4346 FC9A FN10 FCA FCB gd_40
4347 FC10A FC4A FN5 FC5A gd_14
4348 FC4A FN5 FC5A FC9A gd_14
4349 FN10 FCA FCB FCG gd_34
4350 FCA FCB FOB FHB gd_23
4351 FCA FCB FCG FCD gd_34
4352 FCB FCG FOG FHG gd_23
4353 FCB FCG FCD FCE gd_34
4354 FCG FCD FOD FHD gd_23
4355 FCG FCD FCE FOZ gd_34
4356 FCD FCE FOZ FPH gd_29
4357 FCE FOZ FPH FOH gd_19
4358 FCE FOZ FPH FOH gd_22
4359 FOZ FPH FOH FHH gd_19
4360 FOZ FPH FOH FHH gd_22
4362 [ FMNR ]
4363 [ atoms ]
4364 FC9A C 0.10000 0
4365 FN10 NR -0.20000 0
4366 FC10A C 0.10000 0
4367 FN1 NR -0.28000 1
4368 FH1 H 0.28000 1
4369 FC2 C 0.38000 2
4370 FO2 O -0.38000 2
4371 FN3 NR -0.28000 3
4372 FH3 H 0.28000 3
4373 FC4 C 0.38000 4
4374 FO4 O -0.38000 4
4375 FC4A C 0.00000 5
4376 FN5 NR -0.28000 6
4377 FH5 H 0.28000 6
4378 FC5A C 0.00000 7
4379 FC6 CR1 0.00000 8
4380 FC7 C 0.00000 9
4381 FCM7 CH3 0.00000 9
4382 FC8 C 0.00000 10
4383 FCM8 CH3 0.00000 10
4384 FC9 CR1 0.00000 11
4385 FCA CH2 0.00000 12
4386 FCB CH1 0.15000 13
4387 FOB OA -0.54800 13
4388 FHB H 0.39800 13
4389 FCG CH1 0.15000 14
4390 FOG OA -0.54800 14
4391 FHG H 0.39800 14
4392 FCD CH1 0.15000 15
4393 FOD OA -0.54800 15
4394 FHD H 0.39800 15
4395 FCE CH2 0.15000 16
4396 FOZ OA -0.36000 16
4397 FPH P 0.63000 16
4398 FOH OA -0.54800 16
4399 FHH H 0.39800 16
4400 FOT1 OM -0.63500 16
4401 FOT2 OM -0.63500 16
4402 [ bonds ]
4403 FC9A FN10 gb_17
4404 FC9A FC5A gb_16
4405 FC9A FC9 gb_16
4406 FN10 FC10A gb_17
4407 FN10 FCA gb_23
4408 FC10A FN1 gb_17
4409 FC10A FC4A gb_16
4410 FN1 FH1 gb_2
4411 FN1 FC2 gb_17
4412 FC2 FO2 gb_15
4413 FC2 FN3 gb_17
4414 FN3 FH3 gb_2
4415 FN3 FC4 gb_17
4416 FC4 FO4 gb_5
4417 FC4 FC4A gb_16
4418 FC4A FN5 gb_17
4419 FN5 FH5 gb_2
4420 FN5 FC5A gb_17
4421 FC5A FC6 gb_16
4422 FC6 FC7 gb_16
4423 FC7 FCM7 gb_27
4424 FC7 FC8 gb_16
4425 FC8 FCM8 gb_27
4426 FC8 FC9 gb_16
4427 FCA FCB gb_27
4428 FCB FOB gb_18
4429 FCB FCG gb_27
4430 FOB FHB gb_1
4431 FCG FOG gb_18
4432 FCG FCD gb_27
4433 FOG FHG gb_1
4434 FCD FOD gb_18
4435 FCD FCE gb_27
4436 FOD FHD gb_1
4437 FCE FOZ gb_18
4438 FOZ FPH gb_28
4439 FPH FOH gb_28
4440 FPH FOT1 gb_24
4441 FPH FOT2 gb_24
4442 FOH FHH gb_1
4443 [ exclusions ]
4444 ; ai aj
4445 FC9A FN1
4446 FC9A FC4A
4447 FC9A FH5
4448 FC9A FC7
4449 FC9A FCM8
4450 FN10 FH1
4451 FN10 FC2
4452 FN10 FC4
4453 FN10 FN5
4454 FN10 FC6
4455 FN10 FC8
4456 FC10A FO2
4457 FC10A FN3
4458 FC10A FO4
4459 FC10A FH5
4460 FC10A FC5A
4461 FC10A FC9
4462 FN1 FH3
4463 FN1 FC4
4464 FN1 FN5
4465 FN1 FCA
4466 FH1 FO2
4467 FH1 FN3
4468 FH1 FC4A
4469 FC2 FO4
4470 FC2 FC4A
4471 FO2 FH3
4472 FO2 FC4
4473 FN3 FN5
4474 FH3 FO4
4475 FH3 FC4A
4476 FC4 FH5
4477 FC4 FC5A
4478 FO4 FN5
4479 FC4A FC6
4480 FC4A FCA
4481 FN5 FC7
4482 FN5 FC9
4483 FH5 FC6
4484 FC5A FCM7
4485 FC5A FC8
4486 FC5A FCA
4487 FC6 FCM8
4488 FC6 FC9
4489 FCM7 FCM8
4490 FCM7 FC9
4491 FC9 FCA
4492 FOZ FHH
4493 FHH FOT1
4494 FHH FOT2
4495 FOT1 +N
4496 [ angles ]
4497 ; ai aj ak gromos type
4498 FN10 FC9A FC5A ga_27
4499 FN10 FC9A FC9 ga_27
4500 FC5A FC9A FC9 ga_27
4501 FC9A FN10 FC10A ga_27
4502 FC9A FN10 FCA ga_27
4503 FC10A FN10 FCA ga_27
4504 FN10 FC10A FN1 ga_27
4505 FN10 FC10A FC4A ga_27
4506 FN1 FC10A FC4A ga_27
4507 FC10A FN1 FH1 ga_25
4508 FC10A FN1 FC2 ga_27
4509 FH1 FN1 FC2 ga_25
4510 FN1 FC2 FO2 ga_27
4511 FN1 FC2 FN3 ga_27
4512 FO2 FC2 FN3 ga_27
4513 FC2 FN3 FH3 ga_25
4514 FC2 FN3 FC4 ga_27
4515 FH3 FN3 FC4 ga_25
4516 FN3 FC4 FO4 ga_27
4517 FN3 FC4 FC4A ga_27
4518 FO4 FC4 FC4A ga_27
4519 FC10A FC4A FC4 ga_27
4520 FC10A FC4A FN5 ga_27
4521 FC4 FC4A FN5 ga_27
4522 FC4A FN5 FH5 ga_25
4523 FC4A FN5 FC5A ga_27
4524 FH5 FN5 FC5A ga_25
4525 FC9A FC5A FN5 ga_27
4526 FC9A FC5A FC6 ga_27
4527 FN5 FC5A FC6 ga_27
4528 FC5A FC6 FC7 ga_27
4529 FC6 FC7 FCM7 ga_27
4530 FC6 FC7 FC8 ga_27
4531 FCM7 FC7 FC8 ga_27
4532 FC7 FC8 FCM8 ga_27
4533 FC7 FC8 FC9 ga_27
4534 FCM8 FC8 FC9 ga_27
4535 FC9A FC9 FC8 ga_27
4536 FN10 FCA FCB ga_15
4537 FCA FCB FOB ga_15
4538 FCA FCB FCG ga_15
4539 FOB FCB FCG ga_13
4540 FCB FOB FHB ga_12
4541 FCB FCG FOG ga_13
4542 FCB FCG FCD ga_15
4543 FOG FCG FCD ga_13
4544 FCG FOG FHG ga_12
4545 FCG FCD FOD ga_13
4546 FCG FCD FCE ga_15
4547 FOD FCD FCE ga_15
4548 FCD FOD FHD ga_12
4549 FCD FCE FOZ ga_15
4550 FCE FOZ FPH ga_26
4551 FOZ FPH FOH ga_5
4552 FOZ FPH FOT1 ga_14
4553 FOZ FPH FOT2 ga_14
4554 FOH FPH FOT1 ga_14
4555 FOH FPH FOT2 ga_14
4556 FOT1 FPH FOT2 ga_29
4557 FPH FOH FHH ga_12
4558 [ impropers ]
4559 ; ai aj ak al gromos type
4560 FC9A FN10 FC9 FC5A gi_1
4561 FC9A FC5A FC6 FC7 gi_1
4562 FN10 FC9A FC5A FN5 gi_1
4563 FN10 FC10A FC4A FN5 gi_1
4564 FC10A FN1 FC2 FN3 gi_1
4565 FN1 FC10A FC2 FH1 gi_1
4566 FN1 FC10A FC4A FC4 gi_1
4567 FN1 FC2 FN3 FC4 gi_1
4568 FC2 FN1 FN3 FO2 gi_1
4569 FC2 FN3 FC4 FC4A gi_1
4570 FN3 FC2 FC4 FH3 gi_1
4571 FN3 FC4 FC4A FC10A gi_1
4572 FC4 FN3 FC4A FO4 gi_1
4573 FC4A FN10 FN1 FC10A gi_1
4574 FC4A FC10A FN1 FC2 gi_1
4575 FC4A FC4 FN5 FC10A gi_1
4576 FC5A FC9A FC9 FC8 gi_1
4577 FC5A FN5 FC6 FC9A gi_1
4578 FC5A FC6 FC7 FC8 gi_1
4579 FC6 FC7 FC8 FC9 gi_1
4580 FC7 FC6 FC8 FCM7 gi_1
4581 FC7 FC8 FC9 FC9A gi_1
4582 FC8 FC7 FC9 FCM8 gi_1
4583 FC9 FC9A FC5A FC6 gi_1
4584 FCB FOB FCG FCA gi_2
4585 FCG FOG FCD FCB gi_2
4586 FCD FOD FCE FCG gi_2
4587 [ dihedrals ]
4588 ; ai aj ak al gromos type
4589 FC5A FC9A FN10 FC10A gd_14
4590 FC9A FN10 FC10A FC4A gd_14
4591 FC9A FN10 FCA FCB gd_40
4592 FC10A FC4A FN5 FC5A gd_14
4593 FC4A FN5 FC5A FC9A gd_14
4594 FN10 FCA FCB FCG gd_34
4595 FCA FCB FOB FHB gd_23
4596 FCA FCB FCG FCD gd_34
4597 FCB FCG FOG FHG gd_23
4598 FCB FCG FCD FCE gd_34
4599 FCG FCD FOD FHD gd_23
4600 FCG FCD FCE FOZ gd_34
4601 FCD FCE FOZ FPH gd_29
4602 FCE FOZ FPH FOH gd_19
4603 FCE FOZ FPH FOH gd_22
4604 FOZ FPH FOH FHH gd_19
4605 FOZ FPH FOH FHH gd_22
4607 [ PFN ]
4608 [ atoms ]
4609 FC9A C 0.00000 0
4610 FC10 CR1 0.00000 0
4611 FC10A C 0.00000 0
4612 FC1 CR1 0.00000 1
4613 FC2 CR1 0.00000 1
4614 FC3 C 0.00000 2
4615 FN3 NT -0.83000 3
4616 FH31 H 0.41500 3
4617 FH32 H 0.41500 3
4618 FC4 CR1 0.00000 4
4619 FC4A C 0.15000 5
4620 FN5 NR 0.28500 5
4621 FH5 H 0.41500 5
4622 FC5A C 0.15000 5
4623 FC6 CR1 0.00000 6
4624 FC7 C 0.00000 7
4625 FN7 NT -0.83000 8
4626 FH71 H 0.41500 8
4627 FH72 H 0.41500 8
4628 FC8 CR1 0.00000 9
4629 FC9 CR1 0.00000 9
4630 [ bonds ]
4631 FC9A FC10 gb_16
4632 FC9A FC5A gb_16
4633 FC9A FC9 gb_16
4634 FC10 FC10A gb_16
4635 FC10A FC1 gb_16
4636 FC10A FC4A gb_16
4637 FC1 FC2 gb_16
4638 FC2 FC3 gb_16
4639 FC3 FN3 gb_9
4640 FC3 FC4 gb_16
4641 FN3 FH31 gb_2
4642 FN3 FH32 gb_2
4643 FC4 FC4A gb_16
4644 FC4A FN5 gb_17
4645 FN5 FH5 gb_2
4646 FN5 FC5A gb_17
4647 FC5A FC6 gb_16
4648 FC6 FC7 gb_16
4649 FC7 FN7 gb_9
4650 FC7 FC8 gb_16
4651 FN7 FH71 gb_2
4652 FN7 FH72 gb_2
4653 FC8 FC9 gb_16
4654 [ exclusions ]
4655 ; ai aj
4656 FC9A FC1
4657 FC9A FC4A
4658 FC9A FH5
4659 FC9A FC7
4660 FC10 FC2
4661 FC10 FC4
4662 FC10 FN5
4663 FC10 FC6
4664 FC10 FC8
4665 FC10A FC3
4666 FC10A FH5
4667 FC10A FC5A
4668 FC10A FC9
4669 FC1 FN3
4670 FC1 FC4
4671 FC1 FN5
4672 FC2 FC4A
4673 FC3 FN5
4674 FN3 FC4A
4675 FC4 FH5
4676 FC4 FC5A
4677 FC4A FC6
4678 FN5 FC7
4679 FN5 FC9
4680 FH5 FC6
4681 FC5A FN7
4682 FC5A FC8
4683 FC6 FC9
4684 FN7 FC9
4685 [ angles ]
4686 ; ai aj ak gromos type
4687 FC10 FC9A FC5A ga_27
4688 FC10 FC9A FC9 ga_27
4689 FC5A FC9A FC9 ga_27
4690 FC9A FC10 FC10A ga_27
4691 FC10 FC10A FC1 ga_27
4692 FC10 FC10A FC4A ga_27
4693 FC1 FC10A FC4A ga_27
4694 FC10A FC1 FC2 ga_27
4695 FC1 FC2 FC3 ga_27
4696 FC2 FC3 FN3 ga_27
4697 FC2 FC3 FC4 ga_27
4698 FN3 FC3 FC4 ga_27
4699 FC3 FN3 FH31 ga_23
4700 FC3 FN3 FH32 ga_23
4701 FH31 FN3 FH32 ga_24
4702 FC3 FC4 FC4A ga_27
4703 FC10A FC4A FC4 ga_27
4704 FC10A FC4A FN5 ga_27
4705 FC4 FC4A FN5 ga_27
4706 FC4A FN5 FH5 ga_25
4707 FC4A FN5 FC5A ga_27
4708 FH5 FN5 FC5A ga_25
4709 FC9A FC5A FN5 ga_27
4710 FC9A FC5A FC6 ga_27
4711 FN5 FC5A FC6 ga_27
4712 FC5A FC6 FC7 ga_27
4713 FC6 FC7 FN7 ga_27
4714 FC6 FC7 FC8 ga_27
4715 FN7 FC7 FC8 ga_27
4716 FC7 FN7 FH71 ga_23
4717 FC7 FN7 FH72 ga_23
4718 FH71 FN7 FH72 ga_24
4719 FC7 FC8 FC9 ga_27
4720 FC9A FC9 FC8 ga_27
4721 [ impropers ]
4722 ; ai aj ak al gromos type
4723 FC9A FC10 FC10A FC4A gi_1
4724 FC9A FC10 FC9 FC5A gi_1
4725 FC9A FC5A FC6 FC7 gi_1
4726 FC10 FC9A FC5A FN5 gi_1
4727 FC10 FC10A FC4A FN5 gi_1
4728 FC10A FC1 FC2 FC3 gi_1
4729 FC10A FC4A FN5 FC5A gi_1
4730 FC1 FC10A FC4A FC4 gi_1
4731 FC1 FC2 FC3 FC4 gi_1
4732 FC2 FC3 FC4 FC4A gi_1
4733 FC3 FC2 FC4 FN3 gi_1
4734 FC3 FC4 FC4A FC10A gi_1
4735 FN3 FH31 FH32 FC3 gi_1
4736 FC4A FC10 FC1 FC10A gi_1
4737 FC4A FC10A FC1 FC2 gi_1
4738 FC4A FC4 FN5 FC10A gi_1
4739 FC4A FN5 FC5A FC9A gi_1
4740 FN5 FC4A FC5A FH5 gi_1
4741 FC5A FC9A FC10 FC10A gi_1
4742 FC5A FC9A FC9 FC8 gi_1
4743 FC5A FN5 FC6 FC9A gi_1
4744 FC5A FC6 FC7 FC8 gi_1
4745 FC6 FC7 FC8 FC9 gi_1
4746 FC7 FC8 FC9 FC9A gi_1
4747 FN7 FC6 FC8 FC7 gi_1
4748 FN7 FH71 FH72 FC7 gi_1
4749 FC9 FC9A FC5A FC6 gi_1
4750 [ dihedrals ]
4751 ; ai aj ak al gromos type
4752 FC2 FC3 FN3 FH31 gd_14
4753 FC8 FC7 FN7 FH71 gd_14
4755 [ NADP ]
4756 [ atoms ]
4757 AP P 0.76000 0
4758 AO1P OM -0.63500 0
4759 AO2P OM -0.63500 0
4760 AO5* OA -0.36000 0
4761 O3P OA -0.26000 1
4762 NP P 0.76000 1
4763 NO1P OM -0.63500 1
4764 NO2P OM -0.63500 1
4765 NO5* OA -0.36000 1
4766 AC5* CH2 0.00000 2
4767 AC4* CH1 0.16000 3
4768 AO4* OA -0.36000 3
4769 AC1* CH1 0.20000 3
4770 AN9 NR -0.20000 4
4771 AC4 C 0.20000 4
4772 AN3 NR -0.36000 5
4773 AC2 CR1 0.36000 5
4774 AN1 NR -0.36000 6
4775 AC6 C 0.36000 6
4776 AN6 NT -0.83000 7
4777 AH61 H 0.41500 7
4778 AH62 H 0.41500 7
4779 AC5 C 0.00000 8
4780 AN7 NR -0.36000 8
4781 AC8 CR1 0.36000 8
4782 AC2* CH1 0.15000 9
4783 AO2* OA -0.54800 9
4784 AH2* H 0.39800 9
4785 AC3* CH1 0.15000 10
4786 AO3* OA -0.54800 10
4787 AH3* H 0.39800 10
4788 NC5* CH2 0.00000 11
4789 NC4* CH1 0.16000 12
4790 NO4* OA -0.36000 12
4791 NC1* CH1 0.20000 12
4792 NN1 NR 0.10000 13
4793 NC6 CR1 0.30000 13
4794 NC2 CR1 0.25000 13
4795 NC3 C 0.00000 13
4796 NC4 CR1 0.25000 13
4797 NC5 CR1 0.10000 13
4798 NC7 C 0.38000 14
4799 NO7 O -0.38000 14
4800 NN7 NT -0.83000 15
4801 NH71 H 0.41500 15
4802 NH72 H 0.41500 15
4803 NC2* CH1 0.15000 16
4804 NO2* OA -0.54800 16
4805 NH2* H 0.39800 16
4806 NC3* CH1 0.15000 17
4807 NO3* OA -0.54800 17
4808 NH3* H 0.39800 17
4809 [ bonds ]
4810 AP AO1P gb_24
4811 AP AO2P gb_24
4812 AP AO5* gb_28
4813 AP O3P gb_28
4814 AO5* AC5* gb_20
4815 O3P NP gb_28
4816 NP NO1P gb_24
4817 NP NO2P gb_24
4818 NP NO5* gb_28
4819 NO5* NC5* gb_20
4820 AC5* AC4* gb_26
4821 AC4* AO4* gb_20
4822 AC4* AC3* gb_26
4823 AO4* AC1* gb_20
4824 AC1* AN9 gb_22
4825 AC1* AC2* gb_26
4826 AN9 AC4 gb_10
4827 AN9 AC8 gb_10
4828 AC4 AN3 gb_12
4829 AC4 AC5 gb_16
4830 AN3 AC2 gb_7
4831 AC2 AN1 gb_7
4832 AN1 AC6 gb_12
4833 AC6 AN6 gb_9
4834 AC6 AC5 gb_16
4835 AN6 AH61 gb_2
4836 AN6 AH62 gb_2
4837 AC5 AN7 gb_10
4838 AN7 AC8 gb_10
4839 AC2* AO2* gb_20
4840 AC2* AC3* gb_26
4841 AO2* AH2* gb_1
4842 AC3* AO3* gb_20
4843 AO3* AH3* gb_1
4844 NC5* NC4* gb_26
4845 NC4* NO4* gb_20
4846 NC4* NC3* gb_26
4847 NO4* NC1* gb_20
4848 NC1* NN1 gb_23
4849 NC1* NC2* gb_26
4850 NN1 NC6 gb_17
4851 NN1 NC2 gb_17
4852 NC6 NC5 gb_16
4853 NC2 NC3 gb_16
4854 NC3 NC4 gb_16
4855 NC3 NC7 gb_27
4856 NC4 NC5 gb_16
4857 NC7 NO7 gb_5
4858 NC7 NN7 gb_9
4859 NN7 NH71 gb_2
4860 NN7 NH72 gb_2
4861 NC2* NO2* gb_20
4862 NC2* NC3* gb_26
4863 NO2* NH2* gb_1
4864 NC3* NO3* gb_20
4865 NO3* NH3* gb_1
4866 [ exclusions ]
4867 ; ai aj
4868 AC1* AN3
4869 AC1* AC5
4870 AC1* AN7
4871 AN9 AC2
4872 AN9 AC6
4873 AC4 AN1
4874 AC4 AN6
4875 AN3 AC6
4876 AN3 AN7
4877 AN3 AC8
4878 AC2 AN6
4879 AC2 AC5
4880 AN1 AN7
4881 AC6 AC8
4882 AN6 AN7
4883 NC1* NC3
4884 NC1* NC5
4885 NN1 NC4
4886 NN1 NC7
4887 NC6 NC3
4888 NC2 NC5
4889 NC5 NC7
4890 [ angles ]
4891 ; ai aj ak gromos type
4892 AO1P AP AO2P ga_29
4893 AO1P AP AO5* ga_14
4894 AO1P AP O3P ga_14
4895 AO2P AP AO5* ga_14
4896 AO2P AP O3P ga_14
4897 AO5* AP O3P ga_5
4898 AP AO5* AC5* ga_26
4899 AP O3P NP ga_26
4900 O3P NP NO1P ga_14
4901 O3P NP NO2P ga_14
4902 O3P NP NO5* ga_5
4903 NO1P NP NO2P ga_29
4904 NO1P NP NO5* ga_14
4905 NO2P NP NO5* ga_14
4906 NP NO5* NC5* ga_26
4907 AO5* AC5* AC4* ga_9
4908 AC5* AC4* AO4* ga_9
4909 AC5* AC4* AC3* ga_8
4910 AO4* AC4* AC3* ga_9
4911 AC4* AO4* AC1* ga_10
4912 AO4* AC1* AN9 ga_9
4913 AO4* AC1* AC2* ga_9
4914 AN9 AC1* AC2* ga_9
4915 AC1* AN9 AC4 ga_37
4916 AC1* AN9 AC8 ga_37
4917 AC4 AN9 AC8 ga_7
4918 AN9 AC4 AN3 ga_39
4919 AN9 AC4 AC5 ga_7
4920 AN3 AC4 AC5 ga_27
4921 AC4 AN3 AC2 ga_27
4922 AN3 AC2 AN1 ga_27
4923 AC2 AN1 AC6 ga_27
4924 AN1 AC6 AN6 ga_27
4925 AN1 AC6 AC5 ga_27
4926 AN6 AC6 AC5 ga_27
4927 AC6 AN6 AH61 ga_23
4928 AC6 AN6 AH62 ga_23
4929 AH61 AN6 AH62 ga_24
4930 AC4 AC5 AC6 ga_27
4931 AC4 AC5 AN7 ga_7
4932 AC6 AC5 AN7 ga_39
4933 AC5 AN7 AC8 ga_7
4934 AN9 AC8 AN7 ga_7
4935 AC1* AC2* AO2* ga_9
4936 AC1* AC2* AC3* ga_8
4937 AO2* AC2* AC3* ga_9
4938 AC2* AO2* AH2* ga_12
4939 AC4* AC3* AC2* ga_8
4940 AC4* AC3* AO3* ga_9
4941 AC2* AC3* AO3* ga_9
4942 AC3* AO3* AH3* ga_12
4943 NO5* NC5* NC4* ga_9
4944 NC5* NC4* NO4* ga_9
4945 NC5* NC4* NC3* ga_8
4946 NO4* NC4* NC3* ga_9
4947 NC4* NO4* NC1* ga_10
4948 NO4* NC1* NN1 ga_9
4949 NO4* NC1* NC2* ga_9
4950 NN1 NC1* NC2* ga_8
4951 NC1* NN1 NC6 ga_27
4952 NC1* NN1 NC2 ga_27
4953 NC6 NN1 NC2 ga_27
4954 NN1 NC6 NC5 ga_27
4955 NN1 NC2 NC3 ga_27
4956 NC2 NC3 NC4 ga_27
4957 NC2 NC3 NC7 ga_27
4958 NC4 NC3 NC7 ga_27
4959 NC3 NC4 NC5 ga_27
4960 NC6 NC5 NC4 ga_27
4961 NC3 NC7 NO7 ga_30
4962 NC3 NC7 NN7 ga_19
4963 NO7 NC7 NN7 ga_33
4964 NC7 NN7 NH71 ga_23
4965 NC7 NN7 NH72 ga_23
4966 NH71 NN7 NH72 ga_24
4967 NC1* NC2* NO2* ga_9
4968 NC1* NC2* NC3* ga_8
4969 NO2* NC2* NC3* ga_9
4970 NC2* NO2* NH2* ga_12
4971 NC4* NC3* NC2* ga_8
4972 NC4* NC3* NO3* ga_9
4973 NC2* NC3* NO3* ga_9
4974 NC3* NO3* NH3* ga_12
4975 [ impropers ]
4976 ; ai aj ak al gromos type
4977 AC1* AC4 AC8 AN9 gi_1
4978 AN9 AC4 AC5 AN7 gi_1
4979 AC4 AN9 AN3 AC5 gi_1
4980 AC4 AN9 AC8 AN7 gi_1
4981 AC4 AN3 AC2 AN1 gi_1
4982 AC4 AC5 AN7 AC8 gi_1
4983 AN3 AC4 AC5 AC6 gi_1
4984 AN3 AC2 AN1 AC6 gi_1
4985 AC2 AN1 AC6 AC5 gi_1
4986 AN1 AC6 AC5 AC4 gi_1
4987 AN6 AN1 AC5 AC6 gi_1
4988 AN6 AH61 AH62 AC6 gi_1
4989 AC5 AC4 AN3 AC2 gi_1
4990 AC5 AC6 AN7 AC4 gi_1
4991 AC5 AN7 AC8 AN9 gi_1
4992 AC8 AN9 AC4 AC5 gi_1
4993 AC2* AO4* AN9 AC1* gi_2
4994 AC2* AO2* AC3* AC1* gi_2
4995 AC3* AC5* AO4* AC4* gi_2
4996 AC3* AC2* AO3* AC4* gi_2
4997 NN1 NC6 NC2 NC1* gi_1
4998 NN1 NC6 NC5 NC4 gi_1
4999 NN1 NC2 NC3 NC4 gi_1
5000 NC6 NN1 NC2 NC3 gi_1
5001 NC2 NN1 NC6 NC5 gi_1
5002 NC2 NC3 NC4 NC5 gi_1
5003 NC3 NC4 NC5 NC6 gi_1
5004 NC7 NC2 NC4 NC3 gi_1
5005 NC7 NO7 NN7 NC3 gi_1
5006 NN7 NH71 NH72 NC7 gi_1
5007 NC2* NO4* NN1 NC1* gi_2
5008 NC2* NO2* NC3* NC1* gi_2
5009 NC3* NC5* NO4* NC4* gi_2
5010 NC3* NC2* NO3* NC4* gi_2
5011 [ dihedrals ]
5012 ; ai aj ak al gromos type
5013 O3P AP AO5* AC5* gd_19
5014 O3P AP AO5* AC5* gd_22
5015 AO5* AP O3P NP gd_19
5016 AO5* AP O3P NP gd_22
5017 AP AO5* AC5* AC4* gd_29
5018 AP O3P NP NO5* gd_19
5019 AP O3P NP NO5* gd_22
5020 O3P NP NO5* NC5* gd_19
5021 O3P NP NO5* NC5* gd_22
5022 NP NO5* NC5* NC4* gd_29
5023 AO5* AC5* AC4* AO4* gd_18
5024 AO5* AC5* AC4* AC3* gd_17
5025 AO5* AC5* AC4* AC3* gd_34
5026 AC3* AC4* AO4* AC1* gd_29
5027 AC5* AC4* AC3* AC2* gd_34
5028 AC5* AC4* AC3* AO3* gd_17
5029 AO4* AC4* AC3* AC2* gd_17
5030 AO4* AC4* AC3* AO3* gd_18
5031 AC4* AO4* AC1* AC2* gd_29
5032 AO4* AC1* AN9 AC4 gd_16
5033 AO4* AC1* AC2* AO2* gd_18
5034 AO4* AC1* AC2* AC3* gd_17
5035 AO4* AC1* AC2* AC3* gd_34
5036 AN9 AC1* AC2* AO2* gd_17
5037 AC5 AC6 AN6 AH61 gd_14
5038 AC1* AC2* AO2* AH2* gd_23
5039 AC1* AC2* AC3* AC4* gd_34
5040 AC1* AC2* AC3* AO3* gd_17
5041 AO2* AC2* AC3* AC4* gd_17
5042 AO2* AC2* AC3* AO3* gd_18
5043 AC4* AC3* AO3* AH3* gd_23
5044 NO5* NC5* NC4* NO4* gd_18
5045 NO5* NC5* NC4* NC3* gd_17
5046 NO5* NC5* NC4* NC3* gd_34
5047 NC3* NC4* NO4* NC1* gd_29
5048 NC5* NC4* NC3* NC2* gd_34
5049 NC5* NC4* NC3* NO3* gd_17
5050 NO4* NC4* NC3* NC2* gd_17
5051 NO4* NC4* NC3* NO3* gd_18
5052 NC4* NO4* NC1* NC2* gd_29
5053 NO4* NC1* NN1 NC2 gd_16
5054 NO4* NC1* NC2* NO2* gd_18
5055 NO4* NC1* NC2* NC3* gd_17
5056 NO4* NC1* NC2* NC3* gd_34
5057 NN1 NC1* NC2* NO2* gd_17
5058 NC2 NC3 NC7 NN7 gd_10
5059 NC3 NC7 NN7 NH71 gd_14
5060 NC1* NC2* NO2* NH2* gd_23
5061 NC1* NC2* NC3* NC4* gd_34
5062 NC1* NC2* NC3* NO3* gd_17
5063 NO2* NC2* NC3* NC4* gd_17
5064 NO2* NC2* NC3* NO3* gd_18
5065 NC4* NC3* NO3* NH3* gd_23
5067 [ NADH ]
5068 [ atoms ]
5069 AP P 0.76000 0
5070 AO1P OM -0.63500 0
5071 AO2P OM -0.63500 0
5072 AO5* OA -0.36000 0
5073 O3P OA -0.26000 1
5074 NP P 0.76000 1
5075 NO1P OM -0.63500 1
5076 NO2P OM -0.63500 1
5077 NO5* OA -0.36000 1
5078 AC5* CH2 0.00000 2
5079 AC4* CH1 0.16000 3
5080 AO4* OA -0.36000 3
5081 AC1* CH1 0.20000 3
5082 AN9 NR -0.20000 4
5083 AC4 C 0.20000 4
5084 AN3 NR -0.36000 5
5085 AC2 CR1 0.36000 5
5086 AN1 NR -0.36000 6
5087 AC6 C 0.36000 6
5088 AN6 NT -0.83000 7
5089 AH61 H 0.41500 7
5090 AH62 H 0.41500 7
5091 AC5 C 0.00000 8
5092 AN7 NR -0.36000 8
5093 AC8 CR1 0.36000 8
5094 AC2* CH1 0.15000 9
5095 AO2* OA -0.54800 9
5096 AH2* H 0.39800 9
5097 AC3* CH1 0.15000 10
5098 AO3* OA -0.54800 10
5099 AH3* H 0.39800 10
5100 NC5* CH2 0.00000 11
5101 NC4* CH1 0.16000 12
5102 NO4* OA -0.36000 12
5103 NC1* CH1 0.20000 12
5104 NN1 NR -0.20000 13
5105 NC6 CR1 0.20000 13
5106 NC2 CR1 0.00000 13
5107 NC3 C 0.00000 13
5108 NC4 CH2 0.00000 13
5109 NC5 CR1 0.00000 13
5110 NC7 C 0.38000 14
5111 NO7 O -0.38000 14
5112 NN7 NT -0.83000 15
5113 NH71 H 0.41500 15
5114 NH72 H 0.41500 15
5115 NC2* CH1 0.15000 16
5116 NO2* OA -0.54800 16
5117 NH2* H 0.39800 16
5118 NC3* CH1 0.15000 17
5119 NO3* OA -0.54800 17
5120 NH3* H 0.39800 17
5121 [ bonds ]
5122 AP AO1P gb_24
5123 AP AO2P gb_24
5124 AP AO5* gb_28
5125 AP O3P gb_28
5126 AO5* AC5* gb_20
5127 O3P NP gb_28
5128 NP NO1P gb_24
5129 NP NO2P gb_24
5130 NP NO5* gb_28
5131 NO5* NC5* gb_20
5132 AC5* AC4* gb_26
5133 AC4* AO4* gb_20
5134 AC4* AC3* gb_26
5135 AO4* AC1* gb_20
5136 AC1* AN9 gb_22
5137 AC1* AC2* gb_26
5138 AN9 AC4 gb_10
5139 AN9 AC8 gb_10
5140 AC4 AN3 gb_12
5141 AC4 AC5 gb_16
5142 AN3 AC2 gb_7
5143 AC2 AN1 gb_7
5144 AN1 AC6 gb_12
5145 AC6 AN6 gb_9
5146 AC6 AC5 gb_16
5147 AN6 AH61 gb_2
5148 AN6 AH62 gb_2
5149 AC5 AN7 gb_10
5150 AN7 AC8 gb_10
5151 AC2* AO2* gb_20
5152 AC2* AC3* gb_26
5153 AO2* AH2* gb_1
5154 AC3* AO3* gb_20
5155 AO3* AH3* gb_1
5156 NC5* NC4* gb_26
5157 NC4* NO4* gb_20
5158 NC4* NC3* gb_26
5159 NO4* NC1* gb_20
5160 NC1* NN1 gb_23
5161 NC1* NC2* gb_26
5162 NN1 NC6 gb_17
5163 NN1 NC2 gb_17
5164 NC6 NC5 gb_16
5165 NC2 NC3 gb_16
5166 NC3 NC4 gb_15
5167 NC3 NC7 gb_27
5168 NC4 NC5 gb_15
5169 NC7 NO7 gb_5
5170 NC7 NN7 gb_9
5171 NN7 NH71 gb_2
5172 NN7 NH72 gb_2
5173 NC2* NO2* gb_20
5174 NC2* NC3* gb_26
5175 NO2* NH2* gb_1
5176 NC3* NO3* gb_20
5177 NO3* NH3* gb_1
5178 [ exclusions ]
5179 ; ai aj
5180 AC1* AN3
5181 AC1* AC5
5182 AC1* AN7
5183 AN9 AC2
5184 AN9 AC6
5185 AC4 AN1
5186 AC4 AN6
5187 AN3 AC6
5188 AN3 AN7
5189 AN3 AC8
5190 AC2 AN6
5191 AC2 AC5
5192 AN1 AN7
5193 AC6 AC8
5194 AN6 AN7
5195 NC1* NC3
5196 NC1* NC5
5197 NN1 NC4
5198 NN1 NC7
5199 NC6 NC3
5200 NC2 NC5
5201 NC5 NC7
5202 [ angles ]
5203 ; ai aj ak gromos type
5204 AO1P AP AO2P ga_29
5205 AO1P AP AO5* ga_14
5206 AO1P AP O3P ga_14
5207 AO2P AP AO5* ga_14
5208 AO2P AP O3P ga_14
5209 AO5* AP O3P ga_5
5210 AP AO5* AC5* ga_26
5211 AP O3P NP ga_26
5212 O3P NP NO1P ga_14
5213 O3P NP NO2P ga_14
5214 O3P NP NO5* ga_5
5215 NO1P NP NO2P ga_29
5216 NO1P NP NO5* ga_14
5217 NO2P NP NO5* ga_14
5218 NP NO5* NC5* ga_26
5219 AO5* AC5* AC4* ga_9
5220 AC5* AC4* AO4* ga_9
5221 AC5* AC4* AC3* ga_8
5222 AO4* AC4* AC3* ga_9
5223 AC4* AO4* AC1* ga_10
5224 AO4* AC1* AN9 ga_9
5225 AO4* AC1* AC2* ga_9
5226 AN9 AC1* AC2* ga_9
5227 AC1* AN9 AC4 ga_37
5228 AC1* AN9 AC8 ga_37
5229 AC4 AN9 AC8 ga_7
5230 AN9 AC4 AN3 ga_39
5231 AN9 AC4 AC5 ga_7
5232 AN3 AC4 AC5 ga_27
5233 AC4 AN3 AC2 ga_27
5234 AN3 AC2 AN1 ga_27
5235 AC2 AN1 AC6 ga_27
5236 AN1 AC6 AN6 ga_27
5237 AN1 AC6 AC5 ga_27
5238 AN6 AC6 AC5 ga_27
5239 AC6 AN6 AH61 ga_23
5240 AC6 AN6 AH62 ga_23
5241 AH61 AN6 AH62 ga_24
5242 AC4 AC5 AC6 ga_27
5243 AC4 AC5 AN7 ga_7
5244 AC6 AC5 AN7 ga_39
5245 AC5 AN7 AC8 ga_7
5246 AN9 AC8 AN7 ga_7
5247 AC1* AC2* AO2* ga_9
5248 AC1* AC2* AC3* ga_8
5249 AO2* AC2* AC3* ga_9
5250 AC2* AO2* AH2* ga_12
5251 AC4* AC3* AC2* ga_8
5252 AC4* AC3* AO3* ga_9
5253 AC2* AC3* AO3* ga_9
5254 AC3* AO3* AH3* ga_12
5255 NO5* NC5* NC4* ga_9
5256 NC5* NC4* NO4* ga_9
5257 NC5* NC4* NC3* ga_8
5258 NO4* NC4* NC3* ga_9
5259 NC4* NO4* NC1* ga_10
5260 NO4* NC1* NN1 ga_9
5261 NO4* NC1* NC2* ga_9
5262 NN1 NC1* NC2* ga_8
5263 NC1* NN1 NC6 ga_27
5264 NC1* NN1 NC2 ga_27
5265 NC6 NN1 NC2 ga_27
5266 NN1 NC6 NC5 ga_27
5267 NN1 NC2 NC3 ga_27
5268 NC2 NC3 NC4 ga_27
5269 NC2 NC3 NC7 ga_27
5270 NC4 NC3 NC7 ga_27
5271 NC3 NC4 NC5 ga_27
5272 NC6 NC5 NC4 ga_27
5273 NC3 NC7 NO7 ga_30
5274 NC3 NC7 NN7 ga_19
5275 NO7 NC7 NN7 ga_33
5276 NC7 NN7 NH71 ga_23
5277 NC7 NN7 NH72 ga_23
5278 NH71 NN7 NH72 ga_24
5279 NC1* NC2* NO2* ga_9
5280 NC1* NC2* NC3* ga_8
5281 NO2* NC2* NC3* ga_9
5282 NC2* NO2* NH2* ga_12
5283 NC4* NC3* NC2* ga_8
5284 NC4* NC3* NO3* ga_9
5285 NC2* NC3* NO3* ga_9
5286 NC3* NO3* NH3* ga_12
5287 [ impropers ]
5288 ; ai aj ak al gromos type
5289 AC1* AC4 AC8 AN9 gi_1
5290 AN9 AC4 AC5 AN7 gi_1
5291 AC4 AN9 AN3 AC5 gi_1
5292 AC4 AN9 AC8 AN7 gi_1
5293 AC4 AN3 AC2 AN1 gi_1
5294 AC4 AC5 AN7 AC8 gi_1
5295 AN3 AC4 AC5 AC6 gi_1
5296 AN3 AC2 AN1 AC6 gi_1
5297 AC2 AN1 AC6 AC5 gi_1
5298 AN1 AC6 AC5 AC4 gi_1
5299 AN6 AN1 AC5 AC6 gi_1
5300 AN6 AH61 AH62 AC6 gi_1
5301 AC5 AC4 AN3 AC2 gi_1
5302 AC5 AC6 AN7 AC4 gi_1
5303 AC5 AN7 AC8 AN9 gi_1
5304 AC8 AN9 AC4 AC5 gi_1
5305 AC2* AO4* AN9 AC1* gi_2
5306 AC2* AO2* AC3* AC1* gi_2
5307 AC3* AC5* AO4* AC4* gi_2
5308 AC3* AC2* AO3* AC4* gi_2
5309 NN1 NC6 NC2 NC1* gi_1
5310 NN1 NC6 NC5 NC4 gi_1
5311 NN1 NC2 NC3 NC4 gi_1
5312 NC6 NN1 NC2 NC3 gi_1
5313 NC2 NN1 NC6 NC5 gi_1
5314 NC2 NC3 NC4 NC5 gi_1
5315 NC3 NC4 NC5 NC6 gi_1
5316 NC7 NC2 NC4 NC3 gi_1
5317 NC7 NO7 NN7 NC3 gi_1
5318 NN7 NH71 NH72 NC7 gi_1
5319 NC2* NO4* NN1 NC1* gi_2
5320 NC2* NO2* NC3* NC1* gi_2
5321 NC3* NC5* NO4* NC4* gi_2
5322 NC3* NC2* NO3* NC4* gi_2
5323 [ dihedrals ]
5324 ; ai aj ak al gromos type
5325 O3P AP AO5* AC5* gd_19
5326 O3P AP AO5* AC5* gd_22
5327 AO5* AP O3P NP gd_19
5328 AO5* AP O3P NP gd_22
5329 AP AO5* AC5* AC4* gd_29
5330 AP O3P NP NO5* gd_19
5331 AP O3P NP NO5* gd_22
5332 O3P NP NO5* NC5* gd_19
5333 O3P NP NO5* NC5* gd_22
5334 NP NO5* NC5* NC4* gd_29
5335 AO5* AC5* AC4* AO4* gd_18
5336 AO5* AC5* AC4* AC3* gd_17
5337 AO5* AC5* AC4* AC3* gd_34
5338 AC3* AC4* AO4* AC1* gd_29
5339 AC5* AC4* AC3* AC2* gd_34
5340 AC5* AC4* AC3* AO3* gd_17
5341 AO4* AC4* AC3* AC2* gd_17
5342 AO4* AC4* AC3* AO3* gd_18
5343 AC4* AO4* AC1* AC2* gd_29
5344 AO4* AC1* AN9 AC4 gd_16
5345 AO4* AC1* AC2* AO2* gd_18
5346 AO4* AC1* AC2* AC3* gd_17
5347 AO4* AC1* AC2* AC3* gd_34
5348 AN9 AC1* AC2* AO2* gd_17
5349 AC5 AC6 AN6 AH61 gd_14
5350 AC1* AC2* AO2* AH2* gd_23
5351 AC1* AC2* AC3* AC4* gd_34
5352 AC1* AC2* AC3* AO3* gd_17
5353 AO2* AC2* AC3* AC4* gd_17
5354 AO2* AC2* AC3* AO3* gd_18
5355 AC4* AC3* AO3* AH3* gd_23
5356 NO5* NC5* NC4* NO4* gd_18
5357 NO5* NC5* NC4* NC3* gd_17
5358 NO5* NC5* NC4* NC3* gd_34
5359 NC3* NC4* NO4* NC1* gd_29
5360 NC5* NC4* NC3* NC2* gd_34
5361 NC5* NC4* NC3* NO3* gd_17
5362 NO4* NC4* NC3* NC2* gd_17
5363 NO4* NC4* NC3* NO3* gd_18
5364 NC4* NO4* NC1* NC2* gd_29
5365 NO4* NC1* NN1 NC2 gd_16
5366 NO4* NC1* NC2* NO2* gd_18
5367 NO4* NC1* NC2* NC3* gd_17
5368 NO4* NC1* NC2* NC3* gd_34
5369 NN1 NC1* NC2* NO2* gd_17
5370 NC2 NC3 NC7 NN7 gd_10
5371 NC3 NC7 NN7 NH71 gd_14
5372 NC1* NC2* NO2* NH2* gd_23
5373 NC1* NC2* NC3* NC4* gd_34
5374 NC1* NC2* NC3* NO3* gd_17
5375 NO2* NC2* NC3* NC4* gd_17
5376 NO2* NC2* NC3* NO3* gd_18
5377 NC4* NC3* NO3* NH3* gd_23
5379 [ NDPH ]
5380 [ atoms ]
5381 AP P 0.76000 0
5382 AO1P OM -0.63500 0
5383 AO2P OM -0.63500 0
5384 AO5* OA -0.36000 0
5385 O3P OA -0.26000 1
5386 NP P 0.76000 1
5387 NO1P OM -0.63500 1
5388 NO2P OM -0.63500 1
5389 NO5* OA -0.36000 1
5390 AC5* CH2 0.00000 2
5391 AC4* CH1 0.16000 3
5392 AO4* OA -0.36000 3
5393 AC1* CH1 0.20000 3
5394 AN9 NR -0.20000 4
5395 AC4 C 0.20000 4
5396 AN3 NR -0.36000 5
5397 AC2 CR1 0.36000 5
5398 AN1 NR -0.36000 6
5399 AC6 C 0.36000 6
5400 AN6 NT -0.83000 7
5401 AH61 H 0.41500 7
5402 AH62 H 0.41500 7
5403 AC5 C 0.00000 8
5404 AN7 NR -0.36000 8
5405 AC8 CR1 0.36000 8
5406 AC2* CH1 0.15000 9
5407 AO2* OA -0.36000 9
5408 AP2* P 0.63000 9
5409 AO6* OM -0.63500 9
5410 AO7* OM -0.63500 9
5411 AO8* OA -0.54800 9
5412 AH8* H 0.39800 9
5413 AC3* CH1 0.15000 10
5414 AO3* OA -0.54800 10
5415 AH3* H 0.39800 10
5416 NC5* CH2 0.00000 11
5417 NC4* CH1 0.16000 12
5418 NO4* OA -0.36000 12
5419 NC1* CH1 0.20000 12
5420 NN1 NR -0.20000 13
5421 NC6 CR1 0.20000 13
5422 NC2 CR1 0.00000 13
5423 NC3 C 0.00000 13
5424 NC4 CH2 0.00000 13
5425 NC5 CR1 0.00000 13
5426 NC7 C 0.38000 14
5427 NO7 O -0.38000 14
5428 NN7 NT -0.83000 15
5429 NH71 H 0.41500 15
5430 NH72 H 0.41500 15
5431 NC2* CH1 0.15000 16
5432 NO2* OA -0.54800 16
5433 NH2* H 0.39800 16
5434 NC3* CH1 0.15000 17
5435 NO3* OA -0.54800 17
5436 NH3* H 0.39800 17
5437 [ bonds ]
5438 AP AO1P gb_24
5439 AP AO2P gb_24
5440 AP AO5* gb_28
5441 AP O3P gb_28
5442 AO5* AC5* gb_20
5443 O3P NP gb_28
5444 NP NO1P gb_24
5445 NP NO2P gb_24
5446 NP NO5* gb_28
5447 NO5* NC5* gb_20
5448 AC5* AC4* gb_26
5449 AC4* AO4* gb_20
5450 AC4* AC3* gb_26
5451 AO4* AC1* gb_20
5452 AC1* AN9 gb_22
5453 AC1* AC2* gb_26
5454 AN9 AC4 gb_10
5455 AN9 AC8 gb_10
5456 AC4 AN3 gb_12
5457 AC4 AC5 gb_16
5458 AN3 AC2 gb_7
5459 AC2 AN1 gb_7
5460 AN1 AC6 gb_12
5461 AC6 AN6 gb_9
5462 AC6 AC5 gb_16
5463 AN6 AH61 gb_2
5464 AN6 AH62 gb_2
5465 AC5 AN7 gb_10
5466 AN7 AC8 gb_10
5467 AC2* AO2* gb_20
5468 AC2* AC3* gb_26
5469 AO2* AP2* gb_28
5470 AP2* AO6* gb_24
5471 AP2* AO7* gb_24
5472 AP2* AO8* gb_28
5473 AO8* AH8* gb_1
5474 AC3* AO3* gb_20
5475 AO3* AH3* gb_1
5476 NC5* NC4* gb_26
5477 NC4* NO4* gb_20
5478 NC4* NC3* gb_26
5479 NO4* NC1* gb_20
5480 NC1* NN1 gb_23
5481 NC1* NC2* gb_26
5482 NN1 NC6 gb_17
5483 NN1 NC2 gb_17
5484 NC6 NC5 gb_16
5485 NC2 NC3 gb_16
5486 NC3 NC4 gb_15
5487 NC3 NC7 gb_27
5488 NC4 NC5 gb_15
5489 NC7 NO7 gb_5
5490 NC7 NN7 gb_9
5491 NN7 NH71 gb_2
5492 NN7 NH72 gb_2
5493 NC2* NO2* gb_20
5494 NC2* NC3* gb_26
5495 NO2* NH2* gb_1
5496 NC3* NO3* gb_20
5497 NO3* NH3* gb_1
5498 [ exclusions ]
5499 ; ai aj
5500 AC1* AN3
5501 AC1* AC5
5502 AC1* AN7
5503 AN9 AC2
5504 AN9 AC6
5505 AC4 AN1
5506 AC4 AN6
5507 AN3 AC6
5508 AN3 AN7
5509 AN3 AC8
5510 AC2 AN6
5511 AC2 AC5
5512 AN1 AN7
5513 AC6 AC8
5514 AN6 AN7
5515 AO2* AH8*
5516 AO6* AH8*
5517 AO7* AH8*
5518 NC1* NC3
5519 NC1* NC5
5520 NN1 NC4
5521 NN1 NC7
5522 NC6 NC3
5523 NC2 NC5
5524 NC5 NC7
5525 [ angles ]
5526 ; ai aj ak gromos type
5527 AO1P AP AO2P ga_29
5528 AO1P AP AO5* ga_14
5529 AO1P AP O3P ga_14
5530 AO2P AP AO5* ga_14
5531 AO2P AP O3P ga_14
5532 AO5* AP O3P ga_5
5533 AP AO5* AC5* ga_26
5534 AP O3P NP ga_26
5535 O3P NP NO1P ga_14
5536 O3P NP NO2P ga_14
5537 O3P NP NO5* ga_5
5538 NO1P NP NO2P ga_29
5539 NO1P NP NO5* ga_14
5540 NO2P NP NO5* ga_14
5541 NP NO5* NC5* ga_26
5542 AO5* AC5* AC4* ga_9
5543 AC5* AC4* AO4* ga_9
5544 AC5* AC4* AC3* ga_8
5545 AO4* AC4* AC3* ga_9
5546 AC4* AO4* AC1* ga_10
5547 AO4* AC1* AN9 ga_9
5548 AO4* AC1* AC2* ga_9
5549 AN9 AC1* AC2* ga_9
5550 AC1* AN9 AC4 ga_37
5551 AC1* AN9 AC8 ga_37
5552 AC4 AN9 AC8 ga_7
5553 AN9 AC4 AN3 ga_39
5554 AN9 AC4 AC5 ga_7
5555 AN3 AC4 AC5 ga_27
5556 AC4 AN3 AC2 ga_27
5557 AN3 AC2 AN1 ga_27
5558 AC2 AN1 AC6 ga_27
5559 AN1 AC6 AN6 ga_27
5560 AN1 AC6 AC5 ga_27
5561 AN6 AC6 AC5 ga_27
5562 AC6 AN6 AH61 ga_23
5563 AC6 AN6 AH62 ga_23
5564 AH61 AN6 AH62 ga_24
5565 AC4 AC5 AC6 ga_27
5566 AC4 AC5 AN7 ga_7
5567 AC6 AC5 AN7 ga_39
5568 AC5 AN7 AC8 ga_7
5569 AN9 AC8 AN7 ga_7
5570 AC1* AC2* AO2* ga_9
5571 AC1* AC2* AC3* ga_8
5572 AO2* AC2* AC3* ga_9
5573 AC2* AO2* AP2* ga_26
5574 AO2* AP2* AO6* ga_14
5575 AO2* AP2* AO7* ga_14
5576 AO2* AP2* AO8* ga_5
5577 AO6* AP2* AO7* ga_29
5578 AO6* AP2* AO8* ga_14
5579 AO7* AP2* AO8* ga_14
5580 AP2* AO8* AH8* ga_12
5581 AC4* AC3* AC2* ga_8
5582 AC4* AC3* AO3* ga_9
5583 AC2* AC3* AO3* ga_9
5584 AC3* AO3* AH3* ga_12
5585 NO5* NC5* NC4* ga_9
5586 NC5* NC4* NO4* ga_9
5587 NC5* NC4* NC3* ga_8
5588 NO4* NC4* NC3* ga_9
5589 NC4* NO4* NC1* ga_10
5590 NO4* NC1* NN1 ga_9
5591 NO4* NC1* NC2* ga_9
5592 NN1 NC1* NC2* ga_8
5593 NC1* NN1 NC6 ga_27
5594 NC1* NN1 NC2 ga_27
5595 NC6 NN1 NC2 ga_27
5596 NN1 NC6 NC5 ga_27
5597 NN1 NC2 NC3 ga_27
5598 NC2 NC3 NC4 ga_27
5599 NC2 NC3 NC7 ga_27
5600 NC4 NC3 NC7 ga_27
5601 NC3 NC4 NC5 ga_27
5602 NC6 NC5 NC4 ga_27
5603 NC3 NC7 NO7 ga_30
5604 NC3 NC7 NN7 ga_19
5605 NO7 NC7 NN7 ga_33
5606 NC7 NN7 NH71 ga_23
5607 NC7 NN7 NH72 ga_23
5608 NH71 NN7 NH72 ga_24
5609 NC1* NC2* NO2* ga_9
5610 NC1* NC2* NC3* ga_8
5611 NO2* NC2* NC3* ga_9
5612 NC2* NO2* NH2* ga_12
5613 NC4* NC3* NC2* ga_8
5614 NC4* NC3* NO3* ga_9
5615 NC2* NC3* NO3* ga_9
5616 NC3* NO3* NH3* ga_12
5617 [ impropers ]
5618 ; ai aj ak al gromos type
5619 AC1* AC4 AC8 AN9 gi_1
5620 AN9 AC4 AC5 AN7 gi_1
5621 AC4 AN9 AN3 AC5 gi_1
5622 AC4 AN9 AC8 AN7 gi_1
5623 AC4 AN3 AC2 AN1 gi_1
5624 AC4 AC5 AN7 AC8 gi_1
5625 AN3 AC4 AC5 AC6 gi_1
5626 AN3 AC2 AN1 AC6 gi_1
5627 AC2 AN1 AC6 AC5 gi_1
5628 AN1 AC6 AC5 AC4 gi_1
5629 AN6 AN1 AC5 AC6 gi_1
5630 AN6 AH61 AH62 AC6 gi_1
5631 AC5 AC4 AN3 AC2 gi_1
5632 AC5 AC6 AN7 AC4 gi_1
5633 AC5 AN7 AC8 AN9 gi_1
5634 AC8 AN9 AC4 AC5 gi_1
5635 AC2* AO4* AN9 AC1* gi_2
5636 AC2* AO2* AC3* AC1* gi_2
5637 AC3* AC5* AO4* AC4* gi_2
5638 AC3* AC2* AO3* AC4* gi_2
5639 NN1 NC6 NC2 NC1* gi_1
5640 NN1 NC6 NC5 NC4 gi_1
5641 NN1 NC2 NC3 NC4 gi_1
5642 NC6 NN1 NC2 NC3 gi_1
5643 NC2 NN1 NC6 NC5 gi_1
5644 NC2 NC3 NC4 NC5 gi_1
5645 NC3 NC4 NC5 NC6 gi_1
5646 NC7 NC2 NC4 NC3 gi_1
5647 NC7 NO7 NN7 NC3 gi_1
5648 NN7 NH71 NH72 NC7 gi_1
5649 NC2* NO4* NN1 NC1* gi_2
5650 NC2* NO2* NC3* NC1* gi_2
5651 NC3* NC5* NO4* NC4* gi_2
5652 NC3* NC2* NO3* NC4* gi_2
5653 [ dihedrals ]
5654 ; ai aj ak al gromos type
5655 O3P AP AO5* AC5* gd_19
5656 O3P AP AO5* AC5* gd_22
5657 AO5* AP O3P NP gd_19
5658 AO5* AP O3P NP gd_22
5659 AP AO5* AC5* AC4* gd_29
5660 AP O3P NP NO5* gd_19
5661 AP O3P NP NO5* gd_22
5662 O3P NP NO5* NC5* gd_19
5663 O3P NP NO5* NC5* gd_22
5664 NP NO5* NC5* NC4* gd_29
5665 AO5* AC5* AC4* AO4* gd_18
5666 AO5* AC5* AC4* AC3* gd_17
5667 AO5* AC5* AC4* AC3* gd_34
5668 AC3* AC4* AO4* AC1* gd_29
5669 AC5* AC4* AC3* AC2* gd_34
5670 AC5* AC4* AC3* AO3* gd_17
5671 AO4* AC4* AC3* AC2* gd_17
5672 AO4* AC4* AC3* AO3* gd_18
5673 AC4* AO4* AC1* AC2* gd_29
5674 AO4* AC1* AN9 AC4 gd_16
5675 AO4* AC1* AC2* AO2* gd_18
5676 AO4* AC1* AC2* AC3* gd_17
5677 AO4* AC1* AC2* AC3* gd_34
5678 AN9 AC1* AC2* AO2* gd_17
5679 AC5 AC6 AN6 AH61 gd_14
5680 AC1* AC2* AO2* AP2* gd_23
5681 AC1* AC2* AC3* AC4* gd_34
5682 AC1* AC2* AC3* AO3* gd_17
5683 AO2* AC2* AC3* AC4* gd_17
5684 AO2* AC2* AC3* AO3* gd_18
5685 AC2* AO2* AP2* AO8* gd_19
5686 AC2* AO2* AP2* AO8* gd_22
5687 AO2* AP2* AO8* AH8* gd_19
5688 AO2* AP2* AO8* AH8* gd_22
5689 AC4* AC3* AO3* AH3* gd_23
5690 NO5* NC5* NC4* NO4* gd_18
5691 NO5* NC5* NC4* NC3* gd_17
5692 NO5* NC5* NC4* NC3* gd_34
5693 NC3* NC4* NO4* NC1* gd_29
5694 NC5* NC4* NC3* NC2* gd_34
5695 NC5* NC4* NC3* NO3* gd_17
5696 NO4* NC4* NC3* NC2* gd_17
5697 NO4* NC4* NC3* NO3* gd_18
5698 NC4* NO4* NC1* NC2* gd_29
5699 NO4* NC1* NN1 NC2 gd_16
5700 NO4* NC1* NC2* NO2* gd_18
5701 NO4* NC1* NC2* NC3* gd_17
5702 NO4* NC1* NC2* NC3* gd_34
5703 NN1 NC1* NC2* NO2* gd_17
5704 NC2 NC3 NC7 NN7 gd_10
5705 NC3 NC7 NN7 NH71 gd_14
5706 NC1* NC2* NO2* NH2* gd_23
5707 NC1* NC2* NC3* NC4* gd_34
5708 NC1* NC2* NC3* NO3* gd_17
5709 NO2* NC2* NC3* NC4* gd_17
5710 NO2* NC2* NC3* NO3* gd_18
5711 NC4* NC3* NO3* NH3* gd_23
5713 [ NDPP ]
5714 [ atoms ]
5715 AP P 0.76000 0
5716 AO1P OM -0.63500 0
5717 AO2P OM -0.63500 0
5718 AO5* OA -0.36000 0
5719 O3P OA -0.26000 1
5720 NP P 0.76000 1
5721 NO1P OM -0.63500 1
5722 NO2P OM -0.63500 1
5723 NO5* OA -0.36000 1
5724 AC5* CH2 0.00000 2
5725 AC4* CH1 0.16000 3
5726 AO4* OA -0.36000 3
5727 AC1* CH1 0.20000 3
5728 AN9 NR -0.20000 4
5729 AC4 C 0.20000 4
5730 AN3 NR -0.36000 5
5731 AC2 CR1 0.36000 5
5732 AN1 NR -0.36000 6
5733 AC6 C 0.36000 6
5734 AN6 NT -0.83000 7
5735 AH61 H 0.41500 7
5736 AH62 H 0.41500 7
5737 AC5 C 0.00000 8
5738 AN7 NR -0.36000 8
5739 AC8 CR1 0.36000 8
5740 AC2* CH1 0.15000 9
5741 AO2* OA -0.36000 9
5742 AP2* P 0.63000 9
5743 AO6* OM -0.63500 9
5744 AO7* OM -0.63500 9
5745 AO8* OA -0.54800 9
5746 AH8* H 0.39800 9
5747 AC3* CH1 0.15000 10
5748 AO3* OA -0.54800 10
5749 AH3* H 0.39800 10
5750 NC5* CH2 0.00000 11
5751 NC4* CH1 0.16000 12
5752 NO4* OA -0.36000 12
5753 NC1* CH1 0.20000 12
5754 NN1 NR 0.10000 13
5755 NC6 CR1 0.30000 13
5756 NC2 CR1 0.25000 13
5757 NC3 C 0.00000 13
5758 NC4 CR1 0.25000 13
5759 NC5 CR1 0.10000 13
5760 NC7 C 0.38000 14
5761 NO7 O -0.38000 14
5762 NN7 NT -0.83000 15
5763 NH71 H 0.41500 15
5764 NH72 H 0.41500 15
5765 NC2* CH1 0.15000 16
5766 NO2* OA -0.54800 16
5767 NH2* H 0.39800 16
5768 NC3* CH1 0.15000 17
5769 NO3* OA -0.54800 17
5770 NH3* H 0.39800 17
5771 [ bonds ]
5772 AP AO1P gb_24
5773 AP AO2P gb_24
5774 AP AO5* gb_28
5775 AP O3P gb_28
5776 AO5* AC5* gb_20
5777 O3P NP gb_28
5778 NP NO1P gb_24
5779 NP NO2P gb_24
5780 NP NO5* gb_28
5781 NO5* NC5* gb_20
5782 AC5* AC4* gb_26
5783 AC4* AO4* gb_20
5784 AC4* AC3* gb_26
5785 AO4* AC1* gb_20
5786 AC1* AN9 gb_22
5787 AC1* AC2* gb_26
5788 AN9 AC4 gb_10
5789 AN9 AC8 gb_10
5790 AC4 AN3 gb_12
5791 AC4 AC5 gb_16
5792 AN3 AC2 gb_7
5793 AC2 AN1 gb_7
5794 AN1 AC6 gb_12
5795 AC6 AN6 gb_9
5796 AC6 AC5 gb_16
5797 AN6 AH61 gb_2
5798 AN6 AH62 gb_2
5799 AC5 AN7 gb_10
5800 AN7 AC8 gb_10
5801 AC2* AO2* gb_20
5802 AC2* AC3* gb_26
5803 AO2* AP2* gb_28
5804 AP2* AO6* gb_24
5805 AP2* AO7* gb_24
5806 AP2* AO8* gb_28
5807 AO8* AH8* gb_1
5808 AC3* AO3* gb_20
5809 AO3* AH3* gb_1
5810 NC5* NC4* gb_26
5811 NC4* NO4* gb_20
5812 NC4* NC3* gb_26
5813 NO4* NC1* gb_20
5814 NC1* NN1 gb_23
5815 NC1* NC2* gb_26
5816 NN1 NC6 gb_17
5817 NN1 NC2 gb_17
5818 NC6 NC5 gb_16
5819 NC2 NC3 gb_16
5820 NC3 NC4 gb_16
5821 NC3 NC7 gb_27
5822 NC4 NC5 gb_16
5823 NC7 NO7 gb_5
5824 NC7 NN7 gb_9
5825 NN7 NH71 gb_2
5826 NN7 NH72 gb_2
5827 NC2* NO2* gb_20
5828 NC2* NC3* gb_26
5829 NO2* NH2* gb_1
5830 NC3* NO3* gb_20
5831 NO3* NH3* gb_1
5832 [ exclusions ]
5833 ; ai aj
5834 AC1* AN3
5835 AC1* AC5
5836 AC1* AN7
5837 AN9 AC2
5838 AN9 AC6
5839 AC4 AN1
5840 AC4 AN6
5841 AN3 AC6
5842 AN3 AN7
5843 AN3 AC8
5844 AC2 AN6
5845 AC2 AC5
5846 AN1 AN7
5847 AC6 AC8
5848 AN6 AN7
5849 AO2* AH8*
5850 AO6* AH8*
5851 AO7* AH8*
5852 NC1* NC3
5853 NC1* NC5
5854 NN1 NC4
5855 NN1 NC7
5856 NC6 NC3
5857 NC2 NC5
5858 NC5 NC7
5859 [ angles ]
5860 ; ai aj ak gromos type
5861 AO1P AP AO2P ga_29
5862 AO1P AP AO5* ga_14
5863 AO1P AP O3P ga_14
5864 AO2P AP AO5* ga_14
5865 AO2P AP O3P ga_14
5866 AO5* AP O3P ga_5
5867 AP AO5* AC5* ga_26
5868 AP O3P NP ga_26
5869 O3P NP NO1P ga_14
5870 O3P NP NO2P ga_14
5871 O3P NP NO5* ga_5
5872 NO1P NP NO2P ga_29
5873 NO1P NP NO5* ga_14
5874 NO2P NP NO5* ga_14
5875 NP NO5* NC5* ga_26
5876 AO5* AC5* AC4* ga_9
5877 AC5* AC4* AO4* ga_9
5878 AC5* AC4* AC3* ga_8
5879 AO4* AC4* AC3* ga_9
5880 AC4* AO4* AC1* ga_10
5881 AO4* AC1* AN9 ga_9
5882 AO4* AC1* AC2* ga_9
5883 AN9 AC1* AC2* ga_9
5884 AC1* AN9 AC4 ga_37
5885 AC1* AN9 AC8 ga_37
5886 AC4 AN9 AC8 ga_7
5887 AN9 AC4 AN3 ga_39
5888 AN9 AC4 AC5 ga_7
5889 AN3 AC4 AC5 ga_27
5890 AC4 AN3 AC2 ga_27
5891 AN3 AC2 AN1 ga_27
5892 AC2 AN1 AC6 ga_27
5893 AN1 AC6 AN6 ga_27
5894 AN1 AC6 AC5 ga_27
5895 AN6 AC6 AC5 ga_27
5896 AC6 AN6 AH61 ga_23
5897 AC6 AN6 AH62 ga_23
5898 AH61 AN6 AH62 ga_24
5899 AC4 AC5 AC6 ga_27
5900 AC4 AC5 AN7 ga_7
5901 AC6 AC5 AN7 ga_39
5902 AC5 AN7 AC8 ga_7
5903 AN9 AC8 AN7 ga_7
5904 AC1* AC2* AO2* ga_9
5905 AC1* AC2* AC3* ga_8
5906 AO2* AC2* AC3* ga_9
5907 AC2* AO2* AP2* ga_26
5908 AO2* AP2* AO6* ga_14
5909 AO2* AP2* AO7* ga_14
5910 AO2* AP2* AO8* ga_5
5911 AO6* AP2* AO7* ga_29
5912 AO6* AP2* AO8* ga_14
5913 AO7* AP2* AO8* ga_14
5914 AP2* AO8* AH8* ga_12
5915 AC4* AC3* AC2* ga_8
5916 AC4* AC3* AO3* ga_9
5917 AC2* AC3* AO3* ga_9
5918 AC3* AO3* AH3* ga_12
5919 NO5* NC5* NC4* ga_9
5920 NC5* NC4* NO4* ga_9
5921 NC5* NC4* NC3* ga_8
5922 NO4* NC4* NC3* ga_9
5923 NC4* NO4* NC1* ga_10
5924 NO4* NC1* NN1 ga_9
5925 NO4* NC1* NC2* ga_9
5926 NN1 NC1* NC2* ga_8
5927 NC1* NN1 NC6 ga_27
5928 NC1* NN1 NC2 ga_27
5929 NC6 NN1 NC2 ga_27
5930 NN1 NC6 NC5 ga_27
5931 NN1 NC2 NC3 ga_27
5932 NC2 NC3 NC4 ga_27
5933 NC2 NC3 NC7 ga_27
5934 NC4 NC3 NC7 ga_27
5935 NC3 NC4 NC5 ga_27
5936 NC6 NC5 NC4 ga_27
5937 NC3 NC7 NO7 ga_30
5938 NC3 NC7 NN7 ga_19
5939 NO7 NC7 NN7 ga_33
5940 NC7 NN7 NH71 ga_23
5941 NC7 NN7 NH72 ga_23
5942 NH71 NN7 NH72 ga_24
5943 NC1* NC2* NO2* ga_9
5944 NC1* NC2* NC3* ga_8
5945 NO2* NC2* NC3* ga_9
5946 NC2* NO2* NH2* ga_12
5947 NC4* NC3* NC2* ga_8
5948 NC4* NC3* NO3* ga_9
5949 NC2* NC3* NO3* ga_9
5950 NC3* NO3* NH3* ga_12
5951 [ impropers ]
5952 ; ai aj ak al gromos type
5953 AC1* AC4 AC8 AN9 gi_1
5954 AN9 AC4 AC5 AN7 gi_1
5955 AC4 AN9 AN3 AC5 gi_1
5956 AC4 AN9 AC8 AN7 gi_1
5957 AC4 AN3 AC2 AN1 gi_1
5958 AC4 AC5 AN7 AC8 gi_1
5959 AN3 AC4 AC5 AC6 gi_1
5960 AN3 AC2 AN1 AC6 gi_1
5961 AC2 AN1 AC6 AC5 gi_1
5962 AN1 AC6 AC5 AC4 gi_1
5963 AN6 AN1 AC5 AC6 gi_1
5964 AN6 AH61 AH62 AC6 gi_1
5965 AC5 AC4 AN3 AC2 gi_1
5966 AC5 AC6 AN7 AC4 gi_1
5967 AC5 AN7 AC8 AN9 gi_1
5968 AC8 AN9 AC4 AC5 gi_1
5969 AC2* AO4* AN9 AC1* gi_2
5970 AC2* AO2* AC3* AC1* gi_2
5971 AC3* AC5* AO4* AC4* gi_2
5972 AC3* AC2* AO3* AC4* gi_2
5973 NN1 NC6 NC2 NC1* gi_1
5974 NN1 NC6 NC5 NC4 gi_1
5975 NN1 NC2 NC3 NC4 gi_1
5976 NC6 NN1 NC2 NC3 gi_1
5977 NC2 NN1 NC6 NC5 gi_1
5978 NC2 NC3 NC4 NC5 gi_1
5979 NC3 NC4 NC5 NC6 gi_1
5980 NC7 NC2 NC4 NC3 gi_1
5981 NC7 NO7 NN7 NC3 gi_1
5982 NN7 NH71 NH72 NC7 gi_1
5983 NC2* NO4* NN1 NC1* gi_2
5984 NC2* NO2* NC3* NC1* gi_2
5985 NC3* NC5* NO4* NC4* gi_2
5986 NC3* NC2* NO3* NC4* gi_2
5987 [ dihedrals ]
5988 ; ai aj ak al gromos type
5989 O3P AP AO5* AC5* gd_19
5990 O3P AP AO5* AC5* gd_22
5991 AO5* AP O3P NP gd_19
5992 AO5* AP O3P NP gd_22
5993 AP AO5* AC5* AC4* gd_29
5994 AP O3P NP NO5* gd_19
5995 AP O3P NP NO5* gd_22
5996 O3P NP NO5* NC5* gd_19
5997 O3P NP NO5* NC5* gd_22
5998 NP NO5* NC5* NC4* gd_29
5999 AO5* AC5* AC4* AO4* gd_18
6000 AO5* AC5* AC4* AC3* gd_17
6001 AO5* AC5* AC4* AC3* gd_34
6002 AC3* AC4* AO4* AC1* gd_29
6003 AC5* AC4* AC3* AC2* gd_34
6004 AC5* AC4* AC3* AO3* gd_17
6005 AO4* AC4* AC3* AC2* gd_17
6006 AO4* AC4* AC3* AO3* gd_18
6007 AC4* AO4* AC1* AC2* gd_29
6008 AO4* AC1* AN9 AC4 gd_16
6009 AO4* AC1* AC2* AO2* gd_18
6010 AO4* AC1* AC2* AC3* gd_17
6011 AO4* AC1* AC2* AC3* gd_34
6012 AN9 AC1* AC2* AO2* gd_17
6013 AC5 AC6 AN6 AH61 gd_14
6014 AC1* AC2* AO2* AP2* gd_23
6015 AC1* AC2* AC3* AC4* gd_34
6016 AC1* AC2* AC3* AO3* gd_17
6017 AO2* AC2* AC3* AC4* gd_17
6018 AO2* AC2* AC3* AO3* gd_18
6019 AC2* AO2* AP2* AO8* gd_19
6020 AC2* AO2* AP2* AO8* gd_22
6021 AO2* AP2* AO8* AH8* gd_19
6022 AO2* AP2* AO8* AH8* gd_22
6023 AC4* AC3* AO3* AH3* gd_23
6024 NO5* NC5* NC4* NO4* gd_18
6025 NO5* NC5* NC4* NC3* gd_17
6026 NO5* NC5* NC4* NC3* gd_34
6027 NC3* NC4* NO4* NC1* gd_29
6028 NC5* NC4* NC3* NC2* gd_34
6029 NC5* NC4* NC3* NO3* gd_17
6030 NO4* NC4* NC3* NC2* gd_17
6031 NO4* NC4* NC3* NO3* gd_18
6032 NC4* NO4* NC1* NC2* gd_29
6033 NO4* NC1* NN1 NC2 gd_16
6034 NO4* NC1* NC2* NO2* gd_18
6035 NO4* NC1* NC2* NC3* gd_17
6036 NO4* NC1* NC2* NC3* gd_34
6037 NN1 NC1* NC2* NO2* gd_17
6038 NC2 NC3 NC7 NN7 gd_10
6039 NC3 NC7 NN7 NH71 gd_14
6040 NC1* NC2* NO2* NH2* gd_23
6041 NC1* NC2* NC3* NC4* gd_34
6042 NC1* NC2* NC3* NO3* gd_17
6043 NO2* NC2* NC3* NC4* gd_17
6044 NO2* NC2* NC3* NO3* gd_18
6045 NC4* NC3* NO3* NH3* gd_23
6047 [ NDPHN ]
6048 [ atoms ]
6049 AP P 1.02000 0
6050 AO1P OA -0.54800 0
6051 AH1P H 0.39800 0
6052 AO2P O -0.38000 0
6053 AO5* OA -0.36000 0
6054 O3P OA -0.26000 1
6055 NP P 1.02000 1
6056 NO1P OA -0.54800 1
6057 NH1P H 0.39800 1
6058 NO2P O -0.38000 1
6059 NO5* OA -0.36000 1
6060 AC5* CH2 0.00000 2
6061 AC4* CH1 0.16000 3
6062 AO4* OA -0.36000 3
6063 AC1* CH1 0.20000 3
6064 AN9 NR -0.20000 4
6065 AC4 C 0.20000 4
6066 AN3 NR -0.36000 5
6067 AC2 CR1 0.36000 5
6068 AN1 NR -0.36000 6
6069 AC6 C 0.36000 6
6070 AN6 NT -0.83000 7
6071 AH61 H 0.41500 7
6072 AH62 H 0.41500 7
6073 AC5 C 0.00000 8
6074 AN7 NR -0.36000 8
6075 AC8 CR1 0.36000 8
6076 AC2* CH1 0.15000 9
6077 AO2* OA -0.36000 9
6078 AP2* P 0.89000 9
6079 AO6* O -0.38000 9
6080 AO7* OA -0.54800 9
6081 AH7* H 0.39800 9
6082 AO8* OA -0.54800 9
6083 AH8* H 0.39800 9
6084 AC3* CH1 0.15000 10
6085 AO3* OA -0.54800 10
6086 AH3* H 0.39800 10
6087 NC5* CH2 0.00000 11
6088 NC4* CH1 0.16000 12
6089 NO4* OA -0.36000 12
6090 NC1* CH1 0.20000 12
6091 NN1 NR -0.20000 13
6092 NC6 CR1 0.20000 13
6093 NC2 CR1 0.00000 13
6094 NC3 C 0.00000 13
6095 NC4 CH2 0.00000 13
6096 NC5 CR1 0.00000 13
6097 NC7 C 0.38000 14
6098 NO7 O -0.38000 14
6099 NN7 NT -0.83000 15
6100 NH71 H 0.41500 15
6101 NH72 H 0.41500 15
6102 NC2* CH1 0.15000 16
6103 NO2* OA -0.54800 16
6104 NH2* H 0.39800 16
6105 NC3* CH1 0.15000 17
6106 NO3* OA -0.54800 17
6107 NH3* H 0.39800 17
6108 [ bonds ]
6109 AP AO1P gb_28
6110 AP AO2P gb_24
6111 AP AO5* gb_28
6112 AP O3P gb_28
6113 AO1P AH1P gb_1
6114 AO5* AC5* gb_20
6115 O3P NP gb_28
6116 NP NO1P gb_28
6117 NP NO2P gb_24
6118 NP NO5* gb_28
6119 NO1P NH1P gb_1
6120 NO5* NC5* gb_20
6121 AC5* AC4* gb_26
6122 AC4* AO4* gb_20
6123 AC4* AC3* gb_26
6124 AO4* AC1* gb_20
6125 AC1* AN9 gb_22
6126 AC1* AC2* gb_26
6127 AN9 AC4 gb_10
6128 AN9 AC8 gb_10
6129 AC4 AN3 gb_12
6130 AC4 AC5 gb_16
6131 AN3 AC2 gb_7
6132 AC2 AN1 gb_7
6133 AN1 AC6 gb_12
6134 AC6 AN6 gb_9
6135 AC6 AC5 gb_16
6136 AN6 AH61 gb_2
6137 AN6 AH62 gb_2
6138 AC5 AN7 gb_10
6139 AN7 AC8 gb_10
6140 AC2* AO2* gb_20
6141 AC2* AC3* gb_26
6142 AO2* AP2* gb_28
6143 AP2* AO6* gb_24
6144 AP2* AO7* gb_28
6145 AP2* AO8* gb_28
6146 AO7* AH7* gb_1
6147 AO8* AH8* gb_1
6148 AC3* AO3* gb_20
6149 AO3* AH3* gb_1
6150 NC5* NC4* gb_26
6151 NC4* NO4* gb_20
6152 NC4* NC3* gb_26
6153 NO4* NC1* gb_20
6154 NC1* NN1 gb_23
6155 NC1* NC2* gb_26
6156 NN1 NC6 gb_17
6157 NN1 NC2 gb_17
6158 NC6 NC5 gb_16
6159 NC2 NC3 gb_16
6160 NC3 NC4 gb_15
6161 NC3 NC7 gb_27
6162 NC4 NC5 gb_15
6163 NC7 NO7 gb_5
6164 NC7 NN7 gb_9
6165 NN7 NH71 gb_2
6166 NN7 NH72 gb_2
6167 NC2* NO2* gb_20
6168 NC2* NC3* gb_26
6169 NO2* NH2* gb_1
6170 NC3* NO3* gb_20
6171 NO3* NH3* gb_1
6172 [ exclusions ]
6173 ; ai aj
6174 AH1P AO2P
6175 AH1P AO5*
6176 AH1P O3P
6177 O3P NH1P
6178 NH1P NO2P
6179 NH1P NO5*
6180 AC1* AN3
6181 AC1* AC5
6182 AC1* AN7
6183 AN9 AC2
6184 AN9 AC6
6185 AC4 AN1
6186 AC4 AN6
6187 AN3 AC6
6188 AN3 AN7
6189 AN3 AC8
6190 AC2 AN6
6191 AC2 AC5
6192 AN1 AN7
6193 AC6 AC8
6194 AN6 AN7
6195 AO2* AH7*
6196 AO2* AH8*
6197 AO6* AH7*
6198 AO6* AH8*
6199 AO7* AH8*
6200 AH7* AO8*
6201 AH7* AH8*
6202 NC1* NC3
6203 NC1* NC5
6204 NN1 NC4
6205 NN1 NC7
6206 NC6 NC3
6207 NC2 NC5
6208 NC5 NC7
6209 [ angles ]
6210 ; ai aj ak gromos type
6211 AO1P AP AO2P ga_14
6212 AO1P AP AO5* ga_14
6213 AO1P AP O3P ga_14
6214 AO2P AP AO5* ga_14
6215 AO2P AP O3P ga_14
6216 AO5* AP O3P ga_14
6217 AP AO1P AH1P ga_12
6218 AP AO5* AC5* ga_26
6219 AP O3P NP ga_26
6220 O3P NP NO1P ga_14
6221 O3P NP NO2P ga_14
6222 O3P NP NO5* ga_14
6223 NO1P NP NO2P ga_14
6224 NO1P NP NO5* ga_14
6225 NO2P NP NO5* ga_14
6226 NP NO1P NH1P ga_12
6227 NP NO5* NC5* ga_26
6228 AO5* AC5* AC4* ga_9
6229 AC5* AC4* AO4* ga_9
6230 AC5* AC4* AC3* ga_8
6231 AO4* AC4* AC3* ga_9
6232 AC4* AO4* AC1* ga_10
6233 AO4* AC1* AN9 ga_9
6234 AO4* AC1* AC2* ga_9
6235 AN9 AC1* AC2* ga_9
6236 AC1* AN9 AC4 ga_37
6237 AC1* AN9 AC8 ga_37
6238 AC4 AN9 AC8 ga_7
6239 AN9 AC4 AN3 ga_39
6240 AN9 AC4 AC5 ga_7
6241 AN3 AC4 AC5 ga_27
6242 AC4 AN3 AC2 ga_27
6243 AN3 AC2 AN1 ga_27
6244 AC2 AN1 AC6 ga_27
6245 AN1 AC6 AN6 ga_27
6246 AN1 AC6 AC5 ga_27
6247 AN6 AC6 AC5 ga_27
6248 AC6 AN6 AH61 ga_23
6249 AC6 AN6 AH62 ga_23
6250 AH61 AN6 AH62 ga_24
6251 AC4 AC5 AC6 ga_27
6252 AC4 AC5 AN7 ga_7
6253 AC6 AC5 AN7 ga_39
6254 AC5 AN7 AC8 ga_7
6255 AN9 AC8 AN7 ga_7
6256 AC1* AC2* AO2* ga_9
6257 AC1* AC2* AC3* ga_8
6258 AO2* AC2* AC3* ga_9
6259 AC2* AO2* AP2* ga_26
6260 AO2* AP2* AO6* ga_14
6261 AO2* AP2* AO7* ga_14
6262 AO2* AP2* AO8* ga_14
6263 AO6* AP2* AO7* ga_14
6264 AO6* AP2* AO8* ga_14
6265 AO7* AP2* AO8* ga_14
6266 AP2* AO7* AH7* ga_12
6267 AP2* AO8* AH8* ga_12
6268 AC4* AC3* AC2* ga_8
6269 AC4* AC3* AO3* ga_9
6270 AC2* AC3* AO3* ga_9
6271 AC3* AO3* AH3* ga_12
6272 NO5* NC5* NC4* ga_9
6273 NC5* NC4* NO4* ga_9
6274 NC5* NC4* NC3* ga_8
6275 NO4* NC4* NC3* ga_9
6276 NC4* NO4* NC1* ga_10
6277 NO4* NC1* NN1 ga_9
6278 NO4* NC1* NC2* ga_9
6279 NN1 NC1* NC2* ga_8
6280 NC1* NN1 NC6 ga_27
6281 NC1* NN1 NC2 ga_27
6282 NC6 NN1 NC2 ga_27
6283 NN1 NC6 NC5 ga_27
6284 NN1 NC2 NC3 ga_27
6285 NC2 NC3 NC4 ga_27
6286 NC2 NC3 NC7 ga_27
6287 NC4 NC3 NC7 ga_27
6288 NC3 NC4 NC5 ga_27
6289 NC6 NC5 NC4 ga_27
6290 NC3 NC7 NO7 ga_30
6291 NC3 NC7 NN7 ga_19
6292 NO7 NC7 NN7 ga_33
6293 NC7 NN7 NH71 ga_23
6294 NC7 NN7 NH72 ga_23
6295 NH71 NN7 NH72 ga_24
6296 NC1* NC2* NO2* ga_9
6297 NC1* NC2* NC3* ga_8
6298 NO2* NC2* NC3* ga_9
6299 NC2* NO2* NH2* ga_12
6300 NC4* NC3* NC2* ga_8
6301 NC4* NC3* NO3* ga_9
6302 NC2* NC3* NO3* ga_9
6303 NC3* NO3* NH3* ga_12
6304 [ impropers ]
6305 ; ai aj ak al gromos type
6306 AC1* AC4 AC8 AN9 gi_1
6307 AN9 AC4 AC5 AN7 gi_1
6308 AC4 AN9 AN3 AC5 gi_1
6309 AC4 AN9 AC8 AN7 gi_1
6310 AC4 AN3 AC2 AN1 gi_1
6311 AC4 AC5 AN7 AC8 gi_1
6312 AN3 AC4 AC5 AC6 gi_1
6313 AN3 AC2 AN1 AC6 gi_1
6314 AC2 AN1 AC6 AC5 gi_1
6315 AN1 AC6 AC5 AC4 gi_1
6316 AN6 AN1 AC5 AC6 gi_1
6317 AN6 AH61 AH62 AC6 gi_1
6318 AC5 AC4 AN3 AC2 gi_1
6319 AC5 AC6 AN7 AC4 gi_1
6320 AC5 AN7 AC8 AN9 gi_1
6321 AC8 AN9 AC4 AC5 gi_1
6322 AC2* AO4* AN9 AC1* gi_2
6323 AC2* AO2* AC3* AC1* gi_2
6324 AC3* AC5* AO4* AC4* gi_2
6325 AC3* AC2* AO3* AC4* gi_2
6326 NN1 NC6 NC2 NC1* gi_1
6327 NN1 NC6 NC5 NC4 gi_1
6328 NN1 NC2 NC3 NC4 gi_1
6329 NC6 NN1 NC2 NC3 gi_1
6330 NC2 NN1 NC6 NC5 gi_1
6331 NC2 NC3 NC4 NC5 gi_1
6332 NC3 NC4 NC5 NC6 gi_1
6333 NC7 NC2 NC4 NC3 gi_1
6334 NC7 NO7 NN7 NC3 gi_1
6335 NN7 NH71 NH72 NC7 gi_1
6336 NC2* NO4* NN1 NC1* gi_2
6337 NC2* NO2* NC3* NC1* gi_2
6338 NC3* NC5* NO4* NC4* gi_2
6339 NC3* NC2* NO3* NC4* gi_2
6340 [ dihedrals ]
6341 ; ai aj ak al gromos type
6342 AO5* AP AO1P AH1P gd_19
6343 AO5* AP AO1P AH1P gd_22
6344 O3P AP AO5* AC5* gd_19
6345 O3P AP AO5* AC5* gd_22
6346 AO5* AP O3P NP gd_19
6347 AO5* AP O3P NP gd_22
6348 AP AO5* AC5* AC4* gd_29
6349 AP O3P NP NO5* gd_19
6350 AP O3P NP NO5* gd_22
6351 NO5* NP NO1P NH1P gd_19
6352 NO5* NP NO1P NH1P gd_22
6353 O3P NP NO5* NC5* gd_19
6354 O3P NP NO5* NC5* gd_22
6355 NP NO5* NC5* NC4* gd_29
6356 AO5* AC5* AC4* AO4* gd_18
6357 AO5* AC5* AC4* AC3* gd_17
6358 AO5* AC5* AC4* AC3* gd_34
6359 AC3* AC4* AO4* AC1* gd_29
6360 AC5* AC4* AC3* AC2* gd_34
6361 AC5* AC4* AC3* AO3* gd_17
6362 AO4* AC4* AC3* AC2* gd_17
6363 AO4* AC4* AC3* AO3* gd_18
6364 AC4* AO4* AC1* AC2* gd_29
6365 AO4* AC1* AN9 AC4 gd_16
6366 AO4* AC1* AC2* AO2* gd_18
6367 AO4* AC1* AC2* AC3* gd_17
6368 AO4* AC1* AC2* AC3* gd_34
6369 AN9 AC1* AC2* AO2* gd_17
6370 AC5 AC6 AN6 AH61 gd_14
6371 AC1* AC2* AO2* AP2* gd_23
6372 AC1* AC2* AC3* AC4* gd_34
6373 AC1* AC2* AC3* AO3* gd_17
6374 AO2* AC2* AC3* AC4* gd_17
6375 AO2* AC2* AC3* AO3* gd_18
6376 AC2* AO2* AP2* AO8* gd_19
6377 AC2* AO2* AP2* AO8* gd_22
6378 AO2* AP2* AO7* AH7* gd_19
6379 AO2* AP2* AO7* AH7* gd_22
6380 AO2* AP2* AO8* AH8* gd_19
6381 AO2* AP2* AO8* AH8* gd_22
6382 AC4* AC3* AO3* AH3* gd_23
6383 NO5* NC5* NC4* NO4* gd_18
6384 NO5* NC5* NC4* NC3* gd_17
6385 NO5* NC5* NC4* NC3* gd_34
6386 NC3* NC4* NO4* NC1* gd_29
6387 NC5* NC4* NC3* NC2* gd_34
6388 NC5* NC4* NC3* NO3* gd_17
6389 NO4* NC4* NC3* NC2* gd_17
6390 NO4* NC4* NC3* NO3* gd_18
6391 NC4* NO4* NC1* NC2* gd_29
6392 NO4* NC1* NN1 NC2 gd_16
6393 NO4* NC1* NC2* NO2* gd_18
6394 NO4* NC1* NC2* NC3* gd_17
6395 NO4* NC1* NC2* NC3* gd_34
6396 NN1 NC1* NC2* NO2* gd_17
6397 NC2 NC3 NC7 NN7 gd_10
6398 NC3 NC7 NN7 NH71 gd_14
6399 NC1* NC2* NO2* NH2* gd_23
6400 NC1* NC2* NC3* NC4* gd_34
6401 NC1* NC2* NC3* NO3* gd_17
6402 NO2* NC2* NC3* NC4* gd_17
6403 NO2* NC2* NC3* NO3* gd_18
6404 NC4* NC3* NO3* NH3* gd_23
6406 [ GLCA ]
6407 [ atoms ]
6408 C4 CH1 0.23200 0
6409 C3 CH1 0.23200 1
6410 O3 OA -0.64200 1
6411 HO3 H 0.41000 1
6412 C2 CH1 0.23200 2
6413 O2 OA -0.64200 2
6414 HO2 H 0.41000 2
6415 C6 CH2 0.23200 3
6416 O6 OA -0.64200 3
6417 HO6 H 0.41000 3
6418 C5 CH1 0.37600 4
6419 O5 OA -0.48000 4
6420 C1 CH1 0.232 4
6421 O1 OA -0.360 4
6422 [ bonds ]
6423 C4 C3 gb_26
6424 C4 C5 gb_26
6425 C3 O3 gb_20
6426 C3 C2 gb_26
6427 O3 HO3 gb_1
6428 C2 O2 gb_20
6429 C2 C1 gb_26
6430 O2 HO2 gb_1
6431 C6 O6 gb_20
6432 C6 C5 gb_26
6433 O6 HO6 gb_1
6434 C5 O5 gb_20
6435 O5 C1 gb_20
6436 C1 O1 gb_20
6437 O1 +C4 gb_20
6438 [ angles ]
6439 ; ai aj ak gromos type
6440 -C1 -O1 C4 ga_10
6441 -O1 C4 C3 ga_9
6442 -O1 C4 C5 ga_9
6443 C3 C4 C5 ga_8
6444 C4 C3 O3 ga_9
6445 C4 C3 C2 ga_8
6446 O3 C3 C2 ga_9
6447 C3 O3 HO3 ga_12
6448 C3 C2 O2 ga_9
6449 C3 C2 C1 ga_8
6450 O2 C2 C1 ga_9
6451 C2 O2 HO2 ga_12
6452 O6 C6 C5 ga_9
6453 C6 O6 HO6 ga_12
6454 C4 C5 C6 ga_8
6455 C4 C5 O5 ga_9
6456 C6 C5 O5 ga_9
6457 C5 O5 C1 ga_10
6458 C2 C1 O5 ga_9
6459 C2 C1 O1 ga_9
6460 O5 C1 O1 ga_9
6461 C1 O1 +C4 ga_10
6462 [ impropers ]
6463 ; ai aj ak al gromos type
6464 C4 C6 O5 C5 gi_2
6465 C3 O3 C2 C4 gi_2
6466 C5 -O1 C3 C4 gi_2
6467 C1 C3 O2 C2 gi_2
6468 C1 O5 O1 C2 gi_2
6469 [ dihedrals ]
6470 ; ai aj ak al gromos type
6471 -C1 -O1 C4 C3 gd_30
6472 -O1 C4 C3 O3 gd_18
6473 -O1 C4 C3 C2 gd_17
6474 C5 C4 C3 O3 gd_17
6475 C5 C4 C3 C2 gd_34
6476 -O1 C4 C5 C6 gd_17
6477 C3 C4 C5 O5 gd_34
6478 C3 C4 C5 O5 gd_17
6479 C2 C3 O3 HO3 gd_30
6480 C4 C3 C2 O2 gd_17
6481 C4 C3 C2 C1 gd_34
6482 O3 C3 C2 O2 gd_18
6483 O3 C3 C2 C1 gd_17
6484 C1 C2 O2 HO2 gd_30
6485 C3 C2 C1 O5 gd_34
6486 C3 C2 C1 O5 gd_17
6487 C3 C2 C1 O1 gd_17
6488 O2 C2 C1 O1 gd_18
6489 C5 C6 O6 HO6 gd_30
6490 O6 C6 C5 O5 gd_5
6491 O6 C6 C5 O5 gd_37
6492 C4 C5 O5 C1 gd_29
6493 C5 O5 C1 C2 gd_29
6494 O5 C1 O1 +C4 gd_6
6495 O5 C1 O1 +C4 gd_28
6497 [ GLCB ]
6498 [ atoms ]
6499 C4 CH1 0.23200 0
6500 C3 CH1 0.23200 1
6501 O3 OA -0.64200 1
6502 HO3 H 0.41000 1
6503 C2 CH1 0.23200 2
6504 O2 OA -0.64200 2
6505 HO2 H 0.41000 2
6506 C6 CH2 0.23200 3
6507 O6 OA -0.64200 3
6508 HO6 H 0.41000 3
6509 C5 CH1 0.37600 4
6510 O5 OA -0.48000 4
6511 C1 CH1 0.232 4
6512 O1 OA -0.360 4
6513 [ bonds ]
6514 C4 C3 gb_26
6515 C4 C5 gb_26
6516 C3 O3 gb_20
6517 C3 C2 gb_26
6518 O3 HO3 gb_1
6519 C2 O2 gb_20
6520 C2 C1 gb_26
6521 O2 HO2 gb_1
6522 C6 O6 gb_20
6523 C6 C5 gb_26
6524 O6 HO6 gb_1
6525 C5 O5 gb_20
6526 O5 C1 gb_20
6527 C1 O1 gb_20
6528 O1 +C4 gb_20
6529 [ angles ]
6530 ; ai aj ak gromos type
6531 -C1 -O1 C4 ga_10
6532 -O1 C4 C3 ga_9
6533 -O1 C4 C5 ga_9
6534 C3 C4 C5 ga_8
6535 C4 C3 O3 ga_9
6536 C4 C3 C2 ga_8
6537 O3 C3 C2 ga_9
6538 C3 O3 HO3 ga_12
6539 C3 C2 O2 ga_9
6540 C3 C2 C1 ga_8
6541 O2 C2 C1 ga_9
6542 C2 O2 HO2 ga_12
6543 O6 C6 C5 ga_9
6544 C6 O6 HO6 ga_12
6545 C4 C5 C6 ga_8
6546 C4 C5 O5 ga_9
6547 C6 C5 O5 ga_9
6548 C5 O5 C1 ga_10
6549 C2 C1 O5 ga_9
6550 C2 C1 O1 ga_9
6551 O5 C1 O1 ga_9
6552 C1 O1 +C4 ga_10
6553 [ impropers ]
6554 ; ai aj ak al gromos type
6555 C4 C6 O5 C5 gi_2
6556 C3 O3 C2 C4 gi_2
6557 C2 O5 O1 C1 gi_2
6558 C5 -O1 C3 C4 gi_2
6559 C1 C3 O2 C2 gi_2
6560 [ dihedrals ]
6561 ; ai aj ak al gromos type
6562 -C1 -O1 C4 C3 gd_30
6563 -O1 C4 C3 O3 gd_18
6564 -O1 C4 C3 C2 gd_17
6565 C5 C4 C3 O3 gd_17
6566 C5 C4 C3 C2 gd_34
6567 -O1 C4 C5 C6 gd_17
6568 C3 C4 C5 O5 gd_34
6569 C3 C4 C5 O5 gd_17
6570 C2 C3 O3 HO3 gd_30
6571 C4 C3 C2 O2 gd_17
6572 C4 C3 C2 C1 gd_34
6573 O3 C3 C2 O2 gd_18
6574 O3 C3 C2 C1 gd_17
6575 C1 C2 O2 HO2 gd_30
6576 C3 C2 C1 O5 gd_34
6577 C3 C2 C1 O5 gd_17
6578 C3 C2 C1 O1 gd_17
6579 O2 C2 C1 O1 gd_18
6580 C5 C6 O6 HO6 gd_30
6581 O6 C6 C5 O5 gd_5
6582 O6 C6 C5 O5 gd_37
6583 C4 C5 O5 C1 gd_29
6584 C5 O5 C1 C2 gd_29
6585 O5 C1 O1 +C4 gd_2
6586 O5 C1 O1 +C4 gd_32
6588 [ GALA ]
6589 [ atoms ]
6590 C4 CH1 0.23200 0
6591 C3 CH1 0.23200 1
6592 O3 OA -0.64200 1
6593 HO3 H 0.41000 1
6594 C2 CH1 0.23200 2
6595 O2 OA -0.64200 2
6596 HO2 H 0.41000 2
6597 C6 CH2 0.23200 3
6598 O6 OA -0.64200 3
6599 HO6 H 0.41000 3
6600 C5 CH1 0.37600 4
6601 O5 OA -0.48000 4
6602 C1 CH1 0.232 4
6603 O1 OA -0.360 4
6604 [ bonds ]
6605 C4 C3 gb_26
6606 C4 C5 gb_26
6607 C3 O3 gb_20
6608 C3 C2 gb_26
6609 O3 HO3 gb_1
6610 C2 O2 gb_20
6611 C2 C1 gb_26
6612 O2 HO2 gb_1
6613 C6 O6 gb_20
6614 C6 C5 gb_26
6615 O6 HO6 gb_1
6616 C5 O5 gb_20
6617 O5 C1 gb_20
6618 C1 O1 gb_20
6619 O1 +C4 gb_20
6620 [ angles ]
6621 ; ai aj ak gromos type
6622 -C1 -O1 C4 ga_10
6623 -O1 C4 C3 ga_9
6624 -O1 C4 C5 ga_9
6625 C3 C4 C5 ga_8
6626 C4 C3 O3 ga_9
6627 C4 C3 C2 ga_8
6628 O3 C3 C2 ga_9
6629 C3 O3 HO3 ga_12
6630 C3 C2 O2 ga_9
6631 C3 C2 C1 ga_8
6632 O2 C2 C1 ga_9
6633 C2 O2 HO2 ga_12
6634 O6 C6 C5 ga_9
6635 C6 O6 HO6 ga_12
6636 C4 C5 C6 ga_8
6637 C4 C5 O5 ga_9
6638 C6 C5 O5 ga_9
6639 C5 O5 C1 ga_10
6640 C2 C1 O5 ga_9
6641 C2 C1 O1 ga_9
6642 O5 C1 O1 ga_9
6643 C1 O1 +C4 ga_10
6644 [ impropers ]
6645 ; ai aj ak al gromos type
6646 C4 -O1 C3 C5 gi_2
6647 C4 C6 O5 C5 gi_2
6648 C3 O3 C2 C4 gi_2
6649 C1 C3 O2 C2 gi_2
6650 C1 O5 O1 C2 gi_2
6651 [ dihedrals ]
6652 ; ai aj ak al gromos type
6653 -C1 -O1 C4 C3 gd_30
6654 -O1 C4 C3 O3 gd_18
6655 -O1 C4 C3 C2 gd_17
6656 C5 C4 C3 O3 gd_17
6657 C5 C4 C3 C2 gd_34
6658 -O1 C4 C5 C6 gd_17
6659 C3 C4 C5 O5 gd_34
6660 C3 C4 C5 O5 gd_17
6661 C2 C3 O3 HO3 gd_30
6662 C4 C3 C2 O2 gd_17
6663 C4 C3 C2 C1 gd_34
6664 O3 C3 C2 O2 gd_18
6665 O3 C3 C2 C1 gd_17
6666 C1 C2 O2 HO2 gd_30
6667 C3 C2 C1 O5 gd_34
6668 C3 C2 C1 O5 gd_17
6669 C3 C2 C1 O1 gd_17
6670 O2 C2 C1 O1 gd_18
6671 C5 C6 O6 HO6 gd_30
6672 O6 C6 C5 C4 gd_1
6673 O6 C6 C5 O5 gd_3
6674 O6 C6 C5 O5 gd_35
6675 C4 C5 O5 C1 gd_29
6676 C5 O5 C1 C2 gd_29
6677 O5 C1 O1 +C4 gd_6
6678 O5 C1 O1 +C4 gd_28
6680 [ GALB ]
6681 [ atoms ]
6682 C4 CH1 0.23200 0
6683 C3 CH1 0.23200 1
6684 O3 OA -0.64200 1
6685 HO3 H 0.41000 1
6686 C2 CH1 0.23200 2
6687 O2 OA -0.64200 2
6688 HO2 H 0.41000 2
6689 C6 CH2 0.23200 3
6690 O6 OA -0.64200 3
6691 HO6 H 0.41000 3
6692 C5 CH1 0.37600 4
6693 O5 OA -0.48000 4
6694 C1 CH1 0.232 4
6695 O1 OA -0.360 4
6696 [ bonds ]
6697 C4 C3 gb_26
6698 C4 C5 gb_26
6699 C3 O3 gb_20
6700 C3 C2 gb_26
6701 O3 HO3 gb_1
6702 C2 O2 gb_20
6703 C2 C1 gb_26
6704 O2 HO2 gb_1
6705 C6 O6 gb_20
6706 C6 C5 gb_26
6707 O6 HO6 gb_1
6708 C5 O5 gb_20
6709 O5 C1 gb_20
6710 C1 O1 gb_20
6711 O1 +C4 gb_20
6712 [ angles ]
6713 ; ai aj ak gromos type
6714 -C1 -O1 C4 ga_10
6715 -O1 C4 C3 ga_9
6716 -O1 C4 C5 ga_9
6717 C3 C4 C5 ga_8
6718 C4 C3 O3 ga_9
6719 C4 C3 C2 ga_8
6720 O3 C3 C2 ga_9
6721 C3 O3 HO3 ga_12
6722 C3 C2 O2 ga_9
6723 C3 C2 C1 ga_8
6724 O2 C2 C1 ga_9
6725 C2 O2 HO2 ga_12
6726 O6 C6 C5 ga_9
6727 C6 O6 HO6 ga_12
6728 C4 C5 C6 ga_8
6729 C4 C5 O5 ga_9
6730 C6 C5 O5 ga_9
6731 C5 O5 C1 ga_10
6732 C2 C1 O5 ga_9
6733 C2 C1 O1 ga_9
6734 O5 C1 O1 ga_9
6735 C1 O1 +C4 ga_10
6736 [ impropers ]
6737 ; ai aj ak al gromos type
6738 C4 -O1 C3 C5 gi_2
6739 C4 C6 O5 C5 gi_2
6740 C3 O3 C2 C4 gi_2
6741 C2 O5 O1 C1 gi_2
6742 C1 C3 O2 C2 gi_2
6743 [ dihedrals ]
6744 ; ai aj ak al gromos type
6745 -C1 -O1 C4 C3 gd_30
6746 -O1 C4 C3 O3 gd_18
6747 -O1 C4 C3 C2 gd_17
6748 C5 C4 C3 O3 gd_17
6749 C5 C4 C3 C2 gd_34
6750 -O1 C4 C5 C6 gd_17
6751 C3 C4 C5 O5 gd_34
6752 C3 C4 C5 O5 gd_17
6753 C2 C3 O3 HO3 gd_30
6754 C4 C3 C2 O2 gd_17
6755 C4 C3 C2 C1 gd_34
6756 O3 C3 C2 O2 gd_18
6757 O3 C3 C2 C1 gd_17
6758 C1 C2 O2 HO2 gd_30
6759 C3 C2 C1 O5 gd_34
6760 C3 C2 C1 O5 gd_17
6761 C3 C2 C1 O1 gd_17
6762 O2 C2 C1 O1 gd_18
6763 C5 C6 O6 HO6 gd_30
6764 O6 C6 C5 C4 gd_1
6765 O6 C6 C5 O5 gd_3
6766 O6 C6 C5 O5 gd_35
6767 C4 C5 O5 C1 gd_29
6768 C5 O5 C1 C2 gd_29
6769 O5 C1 O1 +C4 gd_2
6770 O5 C1 O1 +C4 gd_32
6772 [ MANA ]
6773 [ atoms ]
6774 C4 CH1 0.23200 0
6775 C3 CH1 0.23200 1
6776 O3 OA -0.64200 1
6777 HO3 H 0.41000 1
6778 C2 CH1 0.23200 2
6779 O2 OA -0.64200 2
6780 HO2 H 0.41000 2
6781 C6 CH2 0.23200 3
6782 O6 OA -0.64200 3
6783 HO6 H 0.41000 3
6784 C5 CH1 0.37600 4
6785 O5 OA -0.48000 4
6786 C1 CH1 0.232 4
6787 O1 OA -0.360 4
6788 [ bonds ]
6789 C4 C3 gb_26
6790 C4 C5 gb_26
6791 C3 O3 gb_20
6792 C3 C2 gb_26
6793 O3 HO3 gb_1
6794 C2 O2 gb_20
6795 C2 C1 gb_26
6796 O2 HO2 gb_1
6797 C6 O6 gb_20
6798 C6 C5 gb_26
6799 O6 HO6 gb_1
6800 C5 O5 gb_20
6801 O5 C1 gb_20
6802 C1 O1 gb_20
6803 O1 +C4 gb_20
6804 [ angles ]
6805 ; ai aj ak gromos type
6806 -C1 -O1 C4 ga_10
6807 -O1 C4 C3 ga_9
6808 -O1 C4 C5 ga_9
6809 C3 C4 C5 ga_8
6810 C4 C3 O3 ga_9
6811 C4 C3 C2 ga_8
6812 O3 C3 C2 ga_9
6813 C3 O3 HO3 ga_12
6814 C3 C2 O2 ga_9
6815 C3 C2 C1 ga_8
6816 O2 C2 C1 ga_9
6817 C2 O2 HO2 ga_12
6818 O6 C6 C5 ga_9
6819 C6 O6 HO6 ga_12
6820 C4 C5 C6 ga_8
6821 C4 C5 O5 ga_9
6822 C6 C5 O5 ga_9
6823 C5 O5 C1 ga_10
6824 C2 C1 O5 ga_9
6825 C2 C1 O1 ga_9
6826 O5 C1 O1 ga_9
6827 C1 O1 +C4 ga_10
6828 [ impropers ]
6829 ; ai aj ak al gromos type
6830 C4 C6 O5 C5 gi_2
6831 C3 O3 C2 C4 gi_2
6832 C2 C3 O2 C1 gi_2
6833 C5 -O1 C3 C4 gi_2
6834 C1 O5 O1 C2 gi_2
6835 [ dihedrals ]
6836 ; ai aj ak al gromos type
6837 -C1 -O1 C4 C3 gd_30
6838 -O1 C4 C3 O3 gd_18
6839 -O1 C4 C3 C2 gd_17
6840 C5 C4 C3 O3 gd_17
6841 C5 C4 C3 C2 gd_34
6842 -O1 C4 C5 C6 gd_17
6843 C3 C4 C5 C6 gd_34
6844 C3 C4 C5 O5 gd_17
6845 C2 C3 O3 HO3 gd_30
6846 C4 C3 C2 O2 gd_17
6847 C4 C3 C2 C1 gd_34
6848 O3 C3 C2 O2 gd_18
6849 O3 C3 C2 C1 gd_17
6850 C1 C2 O2 HO2 gd_30
6851 C3 C2 C1 O5 gd_17
6852 C3 C2 C1 O1 gd_17
6853 C3 C2 C1 O1 gd_34
6854 O2 C2 C1 O1 gd_18
6855 C5 C6 O6 HO6 gd_30
6856 O6 C6 C5 O5 gd_5
6857 O6 C6 C5 O5 gd_37
6858 C4 C5 O5 C1 gd_29
6859 C5 O5 C1 C2 gd_29
6860 O5 C1 O1 +C4 gd_6
6861 O5 C1 O1 +C4 gd_28
6863 [ MANB ]
6864 [ atoms ]
6865 C4 CH1 0.23200 0
6866 C3 CH1 0.23200 1
6867 O3 OA -0.64200 1
6868 HO3 H 0.41000 1
6869 C2 CH1 0.23200 2
6870 O2 OA -0.64200 2
6871 HO2 H 0.41000 2
6872 C6 CH2 0.23200 3
6873 O6 OA -0.64200 3
6874 HO6 H 0.41000 3
6875 C5 CH1 0.37600 4
6876 O5 OA -0.48000 4
6877 C1 CH1 0.232 4
6878 O1 OA -0.360 4
6879 [ bonds ]
6880 C4 C3 gb_26
6881 C4 C5 gb_26
6882 C3 O3 gb_20
6883 C3 C2 gb_26
6884 O3 HO3 gb_1
6885 C2 O2 gb_20
6886 C2 C1 gb_26
6887 O2 HO2 gb_1
6888 C6 O6 gb_20
6889 C6 C5 gb_26
6890 O6 HO6 gb_1
6891 C5 O5 gb_20
6892 O5 C1 gb_20
6893 C1 O1 gb_20
6894 O1 +C4 gb_20
6895 [ angles ]
6896 ; ai aj ak gromos type
6897 -C1 -O1 C4 ga_10
6898 -O1 C4 C3 ga_9
6899 -O1 C4 C5 ga_9
6900 C3 C4 C5 ga_8
6901 C4 C3 O3 ga_9
6902 C4 C3 C2 ga_8
6903 O3 C3 C2 ga_9
6904 C3 O3 HO3 ga_12
6905 C3 C2 O2 ga_9
6906 C3 C2 C1 ga_8
6907 O2 C2 C1 ga_9
6908 C2 O2 HO2 ga_12
6909 O6 C6 C5 ga_9
6910 C6 O6 HO6 ga_12
6911 C4 C5 C6 ga_8
6912 C4 C5 O5 ga_9
6913 C6 C5 O5 ga_9
6914 C5 O5 C1 ga_10
6915 C2 C1 O5 ga_9
6916 C2 C1 O1 ga_9
6917 O5 C1 O1 ga_9
6918 C1 O1 +C4 ga_10
6919 [ impropers ]
6920 ; ai aj ak al gromos type
6921 C4 C6 O5 C5 gi_2
6922 C3 O3 C2 C4 gi_2
6923 C2 C3 O2 C1 gi_2
6924 C2 O5 O1 C1 gi_2
6925 C5 -O1 C3 C4 gi_2
6926 [ dihedrals ]
6927 ; ai aj ak al gromos type
6928 -C1 -O1 C4 C3 gd_30
6929 -O1 C4 C3 O3 gd_18
6930 -O1 C4 C3 C2 gd_17
6931 C5 C4 C3 O3 gd_17
6932 C5 C4 C3 C2 gd_34
6933 -O1 C4 C5 C6 gd_17
6934 C3 C4 C5 C6 gd_34
6935 C3 C4 C5 O5 gd_17
6936 C2 C3 O3 HO3 gd_30
6937 C4 C3 C2 O2 gd_17
6938 C4 C3 C2 C1 gd_34
6939 O3 C3 C2 O2 gd_18
6940 O3 C3 C2 C1 gd_17
6941 C1 C2 O2 HO2 gd_30
6942 C3 C2 C1 O5 gd_17
6943 C3 C2 C1 O1 gd_17
6944 C3 C2 C1 O1 gd_34
6945 O2 C2 C1 O1 gd_18
6946 C5 C6 O6 HO6 gd_30
6947 O6 C6 C5 O5 gd_5
6948 O6 C6 C5 O5 gd_37
6949 C4 C5 O5 C1 gd_29
6950 C5 O5 C1 C2 gd_29
6951 O5 C1 O1 +C4 gd_2
6952 O5 C1 O1 +C4 gd_32
6954 [ TRH ]
6955 [ atoms ]
6956 HO4 H 0.41000 0
6957 O4 OA -0.64200 0
6958 C4 CH1 0.23200 0
6959 C3 CH1 0.23200 1
6960 O3 OA -0.64200 1
6961 HO3 H 0.41000 1
6962 C2 CH1 0.23200 2
6963 O2 OA -0.64200 2
6964 HO2 H 0.41000 2
6965 C6 CH1 0.23200 3
6966 O6 OA -0.64200 3
6967 HO6 H 0.41000 3
6968 C5 CH1 0.37800 4
6969 O5 OA -0.45000 4
6970 C1 CH1 0.24200 4
6971 O1 OA -0.34000 4
6972 C1' CH1 0.24200 4
6973 O5' OA -0.45000 4
6974 C5' CH1 0.37800 4
6975 C4' CH1 0.27500 5
6976 O4' OA -0.60000 5
6977 HO4' H 0.47000 5
6978 C3' CH1 0.23200 6
6979 O3' OA -0.64200 6
6980 HO3' H 0.41000 6
6981 C2' CH1 0.23200 7
6982 O2' OA -0.64200 7
6983 HO2' H 0.41000 7
6984 C6' CH1 0.23200 8
6985 O6' OA -0.64200 8
6986 HO6' H 0.41000 8
6987 [ bonds ]
6988 HO4 O4 gb_1
6989 O4 C4 gb_20
6990 C4 C3 gb_26
6991 C4 C5 gb_26
6992 C3 O3 gb_20
6993 C3 C2 gb_26
6994 O3 HO3 gb_1
6995 C2 O2 gb_20
6996 C2 C1 gb_26
6997 O2 HO2 gb_1
6998 C6 O6 gb_20
6999 C6 C5 gb_26
7000 O6 HO6 gb_1
7001 C5 O5 gb_20
7002 O5 C1 gb_20
7003 C1 O1 gb_20
7004 O1 C1' gb_20
7005 C1' O5' gb_20
7006 C1' C2' gb_26
7007 O5' C5' gb_20
7008 C5' C4' gb_26
7009 C5' C6' gb_26
7010 C4' O4' gb_20
7011 C4' C3' gb_26
7012 O4' HO4' gb_1
7013 C3' O3' gb_20
7014 C3' C2' gb_26
7015 O3' HO3' gb_1
7016 C2' O2' gb_20
7017 O2' HO2' gb_1
7018 C6' O6' gb_20
7019 O6' HO6' gb_1
7020 [ angles ]
7021 ; ai aj ak gromos type
7022 HO4 O4 C4 ga_12
7023 O4 C4 C3 ga_9
7024 O4 C4 C5 ga_9
7025 C3 C4 C5 ga_8
7026 C4 C3 O3 ga_9
7027 C4 C3 C2 ga_8
7028 O3 C3 C2 ga_9
7029 C3 O3 HO3 ga_12
7030 C3 C2 O2 ga_9
7031 C3 C2 C1 ga_8
7032 O2 C2 C1 ga_9
7033 C2 O2 HO2 ga_12
7034 O6 C6 C5 ga_9
7035 C6 O6 HO6 ga_12
7036 C4 C5 C6 ga_8
7037 C4 C5 O5 ga_9
7038 C6 C5 O5 ga_9
7039 C5 O5 C1 ga_10
7040 C2 C1 O5 ga_9
7041 C2 C1 O1 ga_9
7042 O5 C1 O1 ga_9
7043 C1 O1 C1' ga_10
7044 O1 C1' O5' ga_9
7045 O1 C1' C2' ga_9
7046 O5' C1' C2' ga_9
7047 C1' O5' C5' ga_10
7048 O5' C5' C4' ga_9
7049 O5' C5' C6' ga_9
7050 C4' C5' C6' ga_8
7051 C5' C4' O4' ga_9
7052 C5' C4' C3' ga_8
7053 O4' C4' C3' ga_9
7054 C4' O4' HO4' ga_12
7055 C4' C3' O3' ga_9
7056 C4' C3' C2' ga_8
7057 O3' C3' C2' ga_9
7058 C3' O3' HO3' ga_12
7059 C1' C2' C3' ga_8
7060 C1' C2' O2' ga_9
7061 C3' C2' O2' ga_9
7062 C2' O2' HO2' ga_12
7063 C5' C6' O6' ga_9
7064 C6' O6' HO6' ga_12
7065 [ impropers ]
7066 ; ai aj ak al gromos type
7067 C4 C6 O5 C5 gi_2
7068 C3 O3 C2 C4 gi_2
7069 C5 O4 C3 C4 gi_2
7070 C1 C3 O2 C2 gi_2
7071 C1 O5 O1 C2 gi_2
7072 C1' C3' O2' C2' gi_2
7073 C5' O5' C6' C4' gi_2
7074 C5' O4' C3' C4' gi_2
7075 C3' O3' C2' C4' gi_2
7076 C2' O1 O5' C1' gi_2
7077 [ dihedrals ]
7078 ; ai aj ak al gromos type
7079 HO4 O4 C4 C3 gd_30
7080 O4 C4 C3 O3 gd_18
7081 O4 C4 C3 C2 gd_17
7082 C4 C3 C2 C1 gd_34
7083 C5 C4 C3 O3 gd_17
7084 C5 C4 C3 C2 gd_34
7085 O4 C4 C5 C6 gd_17
7086 C3 C4 C5 O5 gd_17
7087 C2 C3 O3 HO3 gd_30
7088 C4 C3 C2 O2 gd_17
7089 O3 C3 C2 O2 gd_18
7090 O3 C3 C2 C1 gd_17
7091 C1 C2 O2 HO2 gd_30
7092 C3 C2 C1 O5 gd_17
7093 C3 C2 C1 O1 gd_17
7094 O2 C2 C1 O1 gd_18
7095 C5 C6 O6 HO6 gd_30
7096 O6 C6 C5 O5 gd_5
7097 O6 C6 C5 O5 gd_37
7098 C4 C5 O5 C1 gd_29
7099 C5 O5 C1 C2 gd_29
7100 O5 C1 O1 C1' gd_6
7101 O5 C1 O1 C1' gd_28
7102 C1 O1 C1' O5' gd_6
7103 C1 O1 C1' O5' gd_28
7104 C2' C1' O5' C5' gd_29
7105 O1 C1' C2' C3' gd_17
7106 O1 C1' C2' O2' gd_18
7107 O5' C1' C2' C3' gd_17
7108 C1' O5' C5' C4' gd_29
7109 O5' C5' C4' C3' gd_17
7110 C6' C5' C4' O4' gd_17
7111 O5' C5' C6' O6' gd_5
7112 O5' C5' C6' O6' gd_37
7113 C2' C3' O3' HO3' gd_30
7114 C3' C4' O4' HO4' gd_30
7115 C5' C4' C3' O3' gd_17
7116 C5' C4' C3' C2' gd_34
7117 O4' C4' C3' C2' gd_17
7118 O4' C4' C3' O3' gd_18
7119 C4' C3' C2' C1' gd_34
7120 C4' C3' C2' O2' gd_17
7121 O3' C3' C2' C1' gd_17
7122 O3' C3' C2' O2' gd_18
7123 C1' C2' O2' HO2' gd_30
7124 C5' C6' O6' HO6' gd_30
7126 [ UGLB ]
7127 [ atoms ]
7128 C4 CH1 0.23200 0
7129 C3 CH1 0.23200 1
7130 O3 OA -0.64200 1
7131 HO3 H 0.41000 1
7132 C2 CH1 0.23200 2
7133 O2 OA -0.64200 2
7134 HO2 H 0.41000 2
7135 C6 C 0.36000 3
7136 O61 OM -0.68000 3
7137 O62 OM -0.68000 3
7138 C5 CH1 0.37600 4
7139 O5 OA -0.48000 4
7140 C1 CH1 0.232 4
7141 O1 OA -0.360 4
7142 [ bonds ]
7143 C4 C3 gb_26
7144 C4 C5 gb_26
7145 C3 O3 gb_20
7146 C3 C2 gb_26
7147 O3 HO3 gb_1
7148 C2 O2 gb_20
7149 C2 C1 gb_26
7150 O2 HO2 gb_1
7151 C6 O61 gb_6
7152 C6 O62 gb_6
7153 C6 C5 gb_27
7154 C5 O5 gb_20
7155 O5 C1 gb_20
7156 C1 O1 gb_20
7157 O1 +C4 gb_20
7158 [ angles ]
7159 ; ai aj ak gromos type
7160 -C1 -O1 C4 ga_10
7161 -O1 C4 C3 ga_9
7162 -O1 C4 C5 ga_9
7163 C3 C4 C5 ga_8
7164 C4 C3 O3 ga_9
7165 C4 C3 C2 ga_8
7166 O3 C3 C2 ga_9
7167 C3 O3 HO3 ga_12
7168 C3 C2 O2 ga_9
7169 C3 C2 C1 ga_8
7170 O2 C2 C1 ga_9
7171 C2 O2 HO2 ga_12
7172 O61 C6 O62 ga_38
7173 O61 C6 C5 ga_22
7174 O62 C6 C5 ga_22
7175 C4 C5 C6 ga_8
7176 C4 C5 O5 ga_9
7177 C6 C5 O5 ga_9
7178 C5 O5 C1 ga_10
7179 C2 C1 O5 ga_9
7180 C2 C1 O1 ga_9
7181 O5 C1 O1 ga_9
7182 C1 O1 +C4 ga_10
7183 [ impropers ]
7184 ; ai aj ak al gromos type
7185 C4 C6 O5 C5 gi_2
7186 C3 O3 C2 C4 gi_2
7187 C2 O5 O1 C1 gi_2
7188 C6 O61 O62 C5 gi_1
7189 C5 -O1 C3 C4 gi_2
7190 C1 C3 O2 C2 gi_2
7191 [ dihedrals ]
7192 ; ai aj ak al gromos type
7193 -C1 -O1 C4 C3 gd_30
7194 -O1 C4 C3 O3 gd_18
7195 -O1 C4 C3 C2 gd_17
7196 C5 C4 C3 O3 gd_17
7197 C5 C4 C3 C2 gd_34
7198 -O1 C4 C5 C6 gd_17
7199 C3 C4 C5 O5 gd_34
7200 C3 C4 C5 O5 gd_17
7201 C2 C3 O3 HO3 gd_30
7202 C4 C3 C2 O2 gd_17
7203 C4 C3 C2 C1 gd_34
7204 O3 C3 C2 O2 gd_18
7205 O3 C3 C2 C1 gd_17
7206 C1 C2 O2 HO2 gd_30
7207 C3 C2 C1 O5 gd_34
7208 C3 C2 C1 O5 gd_17
7209 C3 C2 C1 O1 gd_17
7210 O2 C2 C1 O1 gd_18
7211 O61 C6 C5 O5 gd_40
7212 C4 C5 O5 C1 gd_29
7213 C5 O5 C1 C2 gd_29
7214 O5 C1 O1 +C4 gd_2
7215 O5 C1 O1 +C4 gd_32
7217 [ UMNB ]
7218 [ atoms ]
7219 C4 CH1 0.23200 0
7220 C3 CH1 0.23200 1
7221 O3 OA -0.64200 1
7222 HO3 H 0.41000 1
7223 C2 CH1 0.23200 2
7224 O2 OA -0.64200 2
7225 HO2 H 0.41000 2
7226 C6 C 0.36000 3
7227 O61 OM -0.68000 3
7228 O62 OM -0.68000 3
7229 C5 CH1 0.37600 4
7230 O5 OA -0.48000 4
7231 C1 CH1 0.232 4
7232 O1 OA -0.360 4
7233 [ bonds ]
7234 C4 C3 gb_26
7235 C4 C5 gb_26
7236 C3 O3 gb_20
7237 C3 C2 gb_26
7238 O3 HO3 gb_1
7239 C2 O2 gb_20
7240 C2 C1 gb_26
7241 O2 HO2 gb_1
7242 C6 O61 gb_6
7243 C6 O62 gb_6
7244 C6 C5 gb_27
7245 C5 O5 gb_20
7246 O5 C1 gb_20
7247 C1 O1 gb_20
7248 O1 +C4 gb_20
7249 [ angles ]
7250 ; ai aj ak gromos type
7251 -C1 -O1 C4 ga_10
7252 -O1 C4 C3 ga_9
7253 -O1 C4 C5 ga_9
7254 C3 C4 C5 ga_8
7255 C4 C3 O3 ga_9
7256 C4 C3 C2 ga_8
7257 O3 C3 C2 ga_9
7258 C3 O3 HO3 ga_12
7259 C3 C2 O2 ga_9
7260 C3 C2 C1 ga_8
7261 O2 C2 C1 ga_9
7262 C2 O2 HO2 ga_12
7263 O61 C6 O62 ga_38
7264 O61 C6 C5 ga_22
7265 O62 C6 C5 ga_22
7266 C4 C5 C6 ga_8
7267 C4 C5 O5 ga_9
7268 C6 C5 O5 ga_9
7269 C5 O5 C1 ga_10
7270 C2 C1 O5 ga_9
7271 C2 C1 O1 ga_9
7272 O5 C1 O1 ga_9
7273 C1 O1 +C4 ga_10
7274 [ impropers ]
7275 ; ai aj ak al gromos type
7276 C4 C6 O5 C5 gi_2
7277 C3 O3 C2 C4 gi_2
7278 C2 C3 O2 C1 gi_2
7279 C2 O5 O1 C1 gi_2
7280 C6 O61 O62 C5 gi_1
7281 C5 -O1 C3 C4 gi_2
7282 [ dihedrals ]
7283 ; ai aj ak al gromos type
7284 -C1 -O1 C4 C3 gd_30
7285 -O1 C4 C3 O3 gd_18
7286 -O1 C4 C3 C2 gd_17
7287 C5 C4 C3 O3 gd_17
7288 C5 C4 C3 C2 gd_34
7289 -O1 C4 C5 C6 gd_17
7290 C3 C4 C5 O5 gd_34
7291 C3 C4 C5 O5 gd_17
7292 C2 C3 O3 HO3 gd_30
7293 C4 C3 C2 O2 gd_17
7294 C4 C3 C2 C1 gd_34
7295 O3 C3 C2 O2 gd_18
7296 O3 C3 C2 C1 gd_17
7297 C1 C2 O2 HO2 gd_30
7298 C3 C2 C1 O5 gd_34
7299 C3 C2 C1 O5 gd_17
7300 C3 C2 C1 O1 gd_17
7301 O2 C2 C1 O1 gd_18
7302 O61 C6 C5 O5 gd_40
7303 C4 C5 O5 C1 gd_29
7304 C5 O5 C1 C2 gd_29
7305 O5 C1 O1 +C4 gd_2
7306 O5 C1 O1 +C4 gd_32
7308 [ UGAA ]
7309 [ atoms ]
7310 C4 CH1 0.23200 0
7311 C3 CH1 0.23200 1
7312 O3 OA -0.64200 1
7313 HO3 H 0.41000 1
7314 C2 CH1 0.23200 2
7315 O2 OA -0.64200 2
7316 HO2 H 0.41000 2
7317 C6 C 0.36000 3
7318 O61 OM -0.68000 3
7319 O62 OM -0.68000 3
7320 C5 CH1 0.37600 4
7321 O5 OA -0.48000 4
7322 C1 CH1 0.232 4
7323 O1 OA -0.360 4
7324 [ bonds ]
7325 C4 C3 gb_26
7326 C4 C5 gb_26
7327 C3 O3 gb_20
7328 C3 C2 gb_26
7329 O3 HO3 gb_1
7330 C2 O2 gb_20
7331 C2 C1 gb_26
7332 O2 HO2 gb_1
7333 C6 O61 gb_6
7334 C6 O62 gb_6
7335 C6 C5 gb_27
7336 C5 O5 gb_20
7337 O5 C1 gb_20
7338 C1 O1 gb_20
7339 O1 +C4 gb_20
7340 [ angles ]
7341 ; ai aj ak gromos type
7342 -C1 -O1 C4 ga_10
7343 -O1 C4 C3 ga_9
7344 -O1 C4 C5 ga_9
7345 C3 C4 C5 ga_8
7346 C4 C3 O3 ga_9
7347 C4 C3 C2 ga_8
7348 O3 C3 C2 ga_9
7349 C3 O3 HO3 ga_12
7350 C3 C2 O2 ga_9
7351 C3 C2 C1 ga_8
7352 O2 C2 C1 ga_9
7353 C2 O2 HO2 ga_12
7354 O61 C6 O62 ga_38
7355 O61 C6 C5 ga_22
7356 O62 C6 C5 ga_22
7357 C4 C5 C6 ga_8
7358 C4 C5 O5 ga_9
7359 C6 C5 O5 ga_9
7360 C5 O5 C1 ga_10
7361 C2 C1 O5 ga_9
7362 C2 C1 O1 ga_9
7363 O5 C1 O1 ga_9
7364 C1 O1 +C4 ga_10
7365 [ impropers ]
7366 ; ai aj ak al gromos type
7367 C4 -O1 C3 C5 gi_2
7368 C4 C6 O5 C5 gi_2
7369 C3 O3 C2 C4 gi_2
7370 C6 O61 O62 C5 gi_1
7371 C1 C3 O2 C2 gi_2
7372 C1 O5 O1 C2 gi_2
7373 [ dihedrals ]
7374 ; ai aj ak al gromos type
7375 -C1 -O1 C4 C3 gd_30
7376 -O1 C4 C3 O3 gd_18
7377 -O1 C4 C3 C2 gd_17
7378 C5 C4 C3 O3 gd_17
7379 C5 C4 C3 C2 gd_34
7380 -O1 C4 C5 C6 gd_17
7381 C3 C4 C5 O5 gd_34
7382 C3 C4 C5 O5 gd_17
7383 C2 C3 O3 HO3 gd_30
7384 C4 C3 C2 O2 gd_17
7385 C4 C3 C2 C1 gd_34
7386 O3 C3 C2 O2 gd_18
7387 O3 C3 C2 C1 gd_17
7388 C1 C2 O2 HO2 gd_30
7389 C3 C2 C1 O5 gd_34
7390 C3 C2 C1 O5 gd_17
7391 C3 C2 C1 O1 gd_17
7392 O2 C2 C1 O1 gd_18
7393 O61 C6 C5 O5 gd_40
7394 C4 C5 O5 C1 gd_29
7395 C5 O5 C1 C2 gd_29
7396 O5 C1 O1 +C4 gd_6
7397 O5 C1 O1 +C4 gd_28
7399 [ UGUA ]
7400 [ atoms ]
7401 C4 CH1 0.23200 0
7402 C3 CH1 0.23200 1
7403 O3 OA -0.64200 1
7404 HO3 H 0.41000 1
7405 C2 CH1 0.23200 2
7406 O2 OA -0.64200 2
7407 HO2 H 0.41000 2
7408 C6 C 0.36000 3
7409 O61 OM -0.68000 3
7410 O62 OM -0.68000 3
7411 C5 CH1 0.37600 4
7412 O5 OA -0.48000 4
7413 C1 CH1 0.232 4
7414 O1 OA -0.360 4
7415 [ bonds ]
7416 C4 C3 gb_26
7417 C4 C5 gb_26
7418 C3 O3 gb_20
7419 C3 C2 gb_26
7420 O3 HO3 gb_1
7421 C2 O2 gb_20
7422 C2 C1 gb_26
7423 O2 HO2 gb_1
7424 C6 O61 gb_6
7425 C6 O62 gb_6
7426 C6 C5 gb_27
7427 C5 O5 gb_20
7428 O5 C1 gb_20
7429 C1 O1 gb_20
7430 O1 +C4 gb_20
7431 [ angles ]
7432 ; ai aj ak gromos type
7433 -C1 -O1 C4 ga_10
7434 -O1 C4 C3 ga_9
7435 -O1 C4 C5 ga_9
7436 C3 C4 C5 ga_8
7437 C4 C3 O3 ga_9
7438 C4 C3 C2 ga_8
7439 O3 C3 C2 ga_9
7440 C3 O3 HO3 ga_12
7441 C3 C2 O2 ga_9
7442 C3 C2 C1 ga_8
7443 O2 C2 C1 ga_9
7444 C2 O2 HO2 ga_12
7445 O61 C6 O62 ga_38
7446 O61 C6 C5 ga_22
7447 O62 C6 C5 ga_22
7448 C4 C5 C6 ga_8
7449 C4 C5 O5 ga_9
7450 C6 C5 O5 ga_9
7451 C5 O5 C1 ga_10
7452 C2 C1 O5 ga_9
7453 C2 C1 O1 ga_9
7454 O5 C1 O1 ga_9
7455 C1 O1 +C4 ga_10
7456 [ impropers ]
7457 ; ai aj ak al gromos type
7458 C4 -O1 C3 C5 gi_2
7459 C4 O3 C2 C3 gi_2
7460 C4 C6 O5 C5 gi_2
7461 C6 O61 O62 C5 gi_1
7462 C1 C3 O2 C2 gi_2
7463 C1 O5 O1 C2 gi_2
7464 [ dihedrals ]
7465 ; ai aj ak al gromos type
7466 -C1 -O1 C4 C3 gd_30
7467 -O1 C4 C3 O3 gd_18
7468 -O1 C4 C3 C2 gd_17
7469 C5 C4 C3 O3 gd_17
7470 C5 C4 C3 C2 gd_34
7471 -O1 C4 C5 C6 gd_17
7472 C3 C4 C5 O5 gd_34
7473 C3 C4 C5 O5 gd_17
7474 C2 C3 O3 HO3 gd_30
7475 C4 C3 C2 O2 gd_17
7476 C4 C3 C2 C1 gd_34
7477 O3 C3 C2 O2 gd_18
7478 O3 C3 C2 C1 gd_17
7479 C1 C2 O2 HO2 gd_30
7480 C3 C2 C1 O5 gd_34
7481 C3 C2 C1 O5 gd_17
7482 C3 C2 C1 O1 gd_17
7483 O2 C2 C1 O1 gd_18
7484 O61 C6 C5 O5 gd_40
7485 C4 C5 O5 C1 gd_29
7486 C5 O5 C1 C2 gd_29
7487 O5 C1 O1 +C4 gd_6
7488 O5 C1 O1 +C4 gd_28
7490 [ DPPC ]
7491 [ atoms ]
7492 C33 CH3 0.25000 0
7493 C34 CH3 0.25000 0
7494 C35 CH3 0.25000 0
7495 N NL 0.00000 0
7496 C32 CH2 0.25000 0
7497 C31 CH2 0.00000 1
7498 O32 OA -0.36000 2
7499 P P 0.99000 2
7500 O33 OM -0.63500 2
7501 O34 OM -0.63500 2
7502 O31 OA -0.36000 2
7503 C3 CH2 0.00000 3
7504 C2 CH1 0.16000 4
7505 O21 OE -0.36000 4
7506 C21 C 0.58000 4
7507 O22 O -0.38000 4
7508 C22 CH2 0.00000 5
7509 C23 CH2 0.00000 5
7510 C24 CH2 0.00000 6
7511 C25 CH2 0.00000 6
7512 C26 CH2 0.00000 7
7513 C27 CH2 0.00000 7
7514 C28 CH2 0.00000 8
7515 C29 CH2 0.00000 8
7516 C210 CH2 0.00000 9
7517 C211 CH2 0.00000 9
7518 C212 CH2 0.00000 10
7519 C213 CH2 0.00000 10
7520 C214 CH2 0.00000 11
7521 C215 CH2 0.00000 11
7522 C216 CH3 0.00000 12
7523 C1 CH2 0.16000 13
7524 O11 OE -0.36000 13
7525 C11 C 0.58000 13
7526 O12 O -0.38000 13
7527 C12 CH2 0.00000 14
7528 C13 CH2 0.00000 14
7529 C14 CH2 0.00000 15
7530 C15 CH2 0.00000 15
7531 C16 CH2 0.00000 16
7532 C17 CH2 0.00000 16
7533 C18 CH2 0.00000 17
7534 C19 CH2 0.00000 17
7535 C110 CH2 0.00000 18
7536 C111 CH2 0.00000 18
7537 C112 CH2 0.00000 19
7538 C113 CH2 0.00000 19
7539 C114 CH2 0.00000 20
7540 C115 CH2 0.00000 20
7541 C116 CH3 0.00000 21
7542 [ bonds ]
7543 C33 N gb_21
7544 C34 N gb_21
7545 C35 N gb_21
7546 N C32 gb_21
7547 C32 C31 gb_27
7548 C31 O32 gb_18
7549 O32 P gb_28
7550 P O33 gb_24
7551 P O34 gb_24
7552 P O31 gb_28
7553 O31 C3 gb_18
7554 C3 C2 gb_27
7555 C2 O21 gb_18
7556 C2 C1 gb_27
7557 O21 C21 gb_10
7558 C21 O22 gb_5
7559 C21 C22 gb_23
7560 C22 C23 gb_27
7561 C23 C24 gb_27
7562 C24 C25 gb_27
7563 C25 C26 gb_27
7564 C26 C27 gb_27
7565 C27 C28 gb_27
7566 C28 C29 gb_27
7567 C29 C210 gb_27
7568 C210 C211 gb_27
7569 C211 C212 gb_27
7570 C212 C213 gb_27
7571 C213 C214 gb_27
7572 C214 C215 gb_27
7573 C215 C216 gb_27
7574 C1 O11 gb_18
7575 O11 C11 gb_10
7576 C11 O12 gb_5
7577 C11 C12 gb_23
7578 C12 C13 gb_27
7579 C13 C14 gb_27
7580 C14 C15 gb_27
7581 C15 C16 gb_27
7582 C16 C17 gb_27
7583 C17 C18 gb_27
7584 C18 C19 gb_27
7585 C19 C110 gb_27
7586 C110 C111 gb_27
7587 C111 C112 gb_27
7588 C112 C113 gb_27
7589 C113 C114 gb_27
7590 C114 C115 gb_27
7591 C115 C116 gb_27
7592 [ angles ]
7593 ; ai aj ak gromos type
7594 C33 N C34 ga_13
7595 C33 N C35 ga_13
7596 C33 N C32 ga_13
7597 C34 N C35 ga_13
7598 C34 N C32 ga_13
7599 C35 N C32 ga_13
7600 N C32 C31 ga_15
7601 C32 C31 O32 ga_15
7602 C31 O32 P ga_26
7603 O32 P O33 ga_14
7604 O32 P O34 ga_14
7605 O32 P O31 ga_5
7606 O33 P O34 ga_29
7607 O33 P O31 ga_14
7608 O34 P O31 ga_14
7609 P O31 C3 ga_26
7610 O31 C3 C2 ga_15
7611 C3 C2 O21 ga_13
7612 C3 C2 C1 ga_13
7613 O21 C2 C1 ga_13
7614 C2 O21 C21 ga_22
7615 O21 C21 O22 ga_31
7616 O21 C21 C22 ga_16
7617 O22 C21 C22 ga_35
7618 C21 C22 C23 ga_15
7619 C22 C23 C24 ga_15
7620 C23 C24 C25 ga_15
7621 C24 C25 C26 ga_15
7622 C25 C26 C27 ga_15
7623 C26 C27 C28 ga_15
7624 C27 C28 C29 ga_15
7625 C28 C29 C210 ga_15
7626 C29 C210 C211 ga_15
7627 C210 C211 C212 ga_15
7628 C211 C212 C213 ga_15
7629 C212 C213 C214 ga_15
7630 C213 C214 C215 ga_15
7631 C214 C215 C216 ga_15
7632 C2 C1 O11 ga_15
7633 C1 O11 C11 ga_22
7634 O11 C11 O12 ga_31
7635 O11 C11 C12 ga_16
7636 O12 C11 C12 ga_35
7637 C11 C12 C13 ga_15
7638 C12 C13 C14 ga_15
7639 C13 C14 C15 ga_15
7640 C14 C15 C16 ga_15
7641 C15 C16 C17 ga_15
7642 C16 C17 C18 ga_15
7643 C17 C18 C19 ga_15
7644 C18 C19 C110 ga_15
7645 C19 C110 C111 ga_15
7646 C110 C111 C112 ga_15
7647 C111 C112 C113 ga_15
7648 C112 C113 C114 ga_15
7649 C113 C114 C115 ga_15
7650 C114 C115 C116 ga_15
7651 [ impropers ]
7652 ; ai aj ak al gromos type
7653 O21 C3 C1 C2 gi_2
7654 C21 O21 C22 O22 gi_1
7655 C11 O11 C12 O12 gi_1
7656 [ dihedrals ]
7657 ; ai aj ak al gromos type
7658 C33 N C32 C31 gd_29
7659 N C32 C31 O32 gd_4
7660 N C32 C31 O32 gd_36
7661 C32 C31 O32 P gd_29
7662 C31 O32 P O31 gd_20
7663 C31 O32 P O31 gd_27
7664 O32 P O31 C3 gd_20
7665 O32 P O31 C3 gd_27
7666 P O31 C3 C2 gd_29
7667 O31 C3 C2 C1 gd_34
7668 C3 C2 O21 C21 gd_29
7669 C3 C2 C1 O11 gd_34
7670 C2 O21 C21 C22 gd_13
7671 O21 C21 C22 C23 gd_40
7672 C21 C22 C23 C24 gd_34
7673 C22 C23 C24 C25 gd_34
7674 C23 C24 C25 C26 gd_34
7675 C24 C25 C26 C27 gd_34
7676 C25 C26 C27 C28 gd_34
7677 C26 C27 C28 C29 gd_34
7678 C27 C28 C29 C210 gd_34
7679 C28 C29 C210 C211 gd_34
7680 C29 C210 C211 C212 gd_34
7681 C210 C211 C212 C213 gd_34
7682 C211 C212 C213 C214 gd_34
7683 C212 C213 C214 C215 gd_34
7684 C213 C214 C215 C216 gd_34
7685 C2 C1 O11 C11 gd_29
7686 C1 O11 C11 C12 gd_13
7687 O11 C11 C12 C13 gd_40
7688 C11 C12 C13 C14 gd_34
7689 C12 C13 C14 C15 gd_34
7690 C13 C14 C15 C16 gd_34
7691 C14 C15 C16 C17 gd_34
7692 C15 C16 C17 C18 gd_34
7693 C16 C17 C18 C19 gd_34
7694 C17 C18 C19 C110 gd_34
7695 C18 C19 C110 C111 gd_34
7696 C19 C110 C111 C112 gd_34
7697 C110 C111 C112 C113 gd_34
7698 C111 C112 C113 C114 gd_34
7699 C112 C113 C114 C115 gd_34
7700 C113 C114 C115 C116 gd_34
7702 [ HEME ]
7703 [ atoms ]
7704 FE FE 0.40000 0
7705 NA NR -0.10000 0
7706 NB NR -0.10000 0
7707 NC NR -0.10000 0
7708 ND NR -0.10000 0
7709 CHA C -0.10000 1
7710 HHA HC 0.10000 1
7711 C1A C 0.00000 2
7712 C2A C 0.00000 2
7713 C3A C 0.00000 2
7714 C4A C 0.00000 2
7715 CMA CH3 0.00000 3
7716 CAA CH2 0.00000 4
7717 CBA CH2 0.00000 4
7718 CGA C 0.27000 5
7719 O1A OM -0.63500 5
7720 O2A OM -0.63500 5
7721 CHB C -0.10000 6
7722 HHB HC 0.10000 6
7723 C1B C 0.00000 7
7724 C2B C 0.00000 7
7725 C3B C 0.00000 7
7726 C4B C 0.00000 7
7727 CMB CH3 0.00000 8
7728 CAB CR1 0.00000 9
7729 CBB CH2 0.00000 9
7730 CHC C -0.10000 10
7731 HHC HC 0.10000 10
7732 C1C C 0.00000 11
7733 C2C C 0.00000 11
7734 C3C C 0.00000 11
7735 C4C C 0.00000 11
7736 CMC CH3 0.00000 12
7737 CAC CR1 0.00000 13
7738 CBC CH2 0.00000 13
7739 CHD C -0.10000 14
7740 HHD HC 0.10000 14
7741 C1D C 0.00000 15
7742 C2D C 0.00000 15
7743 C3D C 0.00000 15
7744 C4D C 0.00000 15
7745 CMD CH3 0.00000 16
7746 CAD CH2 0.00000 17
7747 CBD CH2 0.00000 17
7748 CGD C 0.27000 18
7749 O1D OM -0.63500 18
7750 O2D OM -0.63500 18
7751 [ bonds ]
7752 FE NA gb_35
7753 FE NB gb_35
7754 FE NC gb_35
7755 FE ND gb_35
7756 NA C1A gb_14
7757 NA C4A gb_14
7758 NB C1B gb_14
7759 NB C4B gb_14
7760 NC C1C gb_14
7761 NC C4C gb_14
7762 ND C1D gb_14
7763 ND C4D gb_14
7764 CHA HHA gb_3
7765 CHA C1A gb_17
7766 CHA C4D gb_17
7767 C1A C2A gb_17
7768 C2A C3A gb_17
7769 C2A CAA gb_27
7770 C3A C4A gb_17
7771 C3A CMA gb_27
7772 C4A CHB gb_17
7773 CAA CBA gb_27
7774 CBA CGA gb_27
7775 CGA O1A gb_6
7776 CGA O2A gb_6
7777 CHB HHB gb_3
7778 CHB C1B gb_17
7779 C1B C2B gb_17
7780 C2B C3B gb_17
7781 C2B CMB gb_27
7782 C3B C4B gb_17
7783 C3B CAB gb_27
7784 C4B CHC gb_17
7785 CAB CBB gb_12
7786 CHC HHC gb_3
7787 CHC C1C gb_17
7788 C1C C2C gb_17
7789 C2C C3C gb_17
7790 C2C CMC gb_27
7791 C3C C4C gb_17
7792 C3C CAC gb_27
7793 C4C CHD gb_17
7794 CAC CBC gb_12
7795 CHD HHD gb_3
7796 CHD C1D gb_17
7797 C1D C2D gb_17
7798 C2D C3D gb_17
7799 C2D CMD gb_27
7800 C3D C4D gb_17
7801 C3D CAD gb_27
7802 CAD CBD gb_27
7803 CBD CGD gb_27
7804 CGD O1D gb_6
7805 CGD O2D gb_6
7806 [ exclusions ]
7807 ; ai aj
7808 FE CHA
7809 FE C2A
7810 FE C3A
7811 FE CHB
7812 FE C2B
7813 FE C3B
7814 FE CHC
7815 FE C2C
7816 FE C3C
7817 FE CHD
7818 FE C2D
7819 FE C3D
7820 NA HHA
7821 NA CMA
7822 NA CAA
7823 NA HHB
7824 NA C1B
7825 NA C4B
7826 NA C1C
7827 NA C4C
7828 NA C1D
7829 NA C4D
7830 NB C1A
7831 NB C4A
7832 NB HHB
7833 NB CMB
7834 NB CAB
7835 NB HHC
7836 NB C1C
7837 NB C4C
7838 NB C1D
7839 NB C4D
7840 NC C1A
7841 NC C4A
7842 NC C1B
7843 NC C4B
7844 NC HHC
7845 NC CMC
7846 NC CAC
7847 NC HHD
7848 NC C1D
7849 NC C4D
7850 ND HHA
7851 ND C1A
7852 ND C4A
7853 ND C1B
7854 ND C4B
7855 ND C1C
7856 ND C4C
7857 ND HHD
7858 ND CMD
7859 ND CAD
7860 CHA C3A
7861 CHA C4A
7862 CHA CAA
7863 CHA C1D
7864 CHA C2D
7865 CHA CAD
7866 HHA C2A
7867 HHA C3D
7868 C1A CMA
7869 C1A CHB
7870 C1A C3D
7871 C2A CHB
7872 C3A HHB
7873 C3A C1B
7874 C4A CAA
7875 C4A C2B
7876 CMA CAA
7877 CMA CHB
7878 CHB C3B
7879 CHB C4B
7880 CHB CMB
7881 HHB C2B
7882 C1B CAB
7883 C1B CHC
7884 C2B CHC
7885 C3B HHC
7886 C3B C1C
7887 C4B CMB
7888 C4B C2C
7889 CMB CAB
7890 CAB CHC
7891 CHC C3C
7892 CHC C4C
7893 CHC CMC
7894 HHC C2C
7895 C1C CAC
7896 C1C CHD
7897 C2C CHD
7898 C3C HHD
7899 C3C C1D
7900 C4C CMC
7901 C4C C2D
7902 CMC CAC
7903 CAC CHD
7904 CHD C3D
7905 CHD C4D
7906 CHD CMD
7907 HHD C2D
7908 C1D CAD
7909 C4D CMD
7910 CMD CAD
7911 [ angles ]
7912 ; ai aj ak gromos type
7913 NA FE NB ga_2
7914 NA FE ND ga_2
7915 NB FE NC ga_2
7916 NC FE ND ga_2
7917 FE NA C1A ga_36
7918 FE NA C4A ga_36
7919 C1A NA C4A ga_6
7920 FE NB C1B ga_36
7921 FE NB C4B ga_36
7922 C1B NB C4B ga_6
7923 FE NC C1C ga_36
7924 FE NC C4C ga_36
7925 C1C NC C4C ga_6
7926 FE ND C1D ga_36
7927 FE ND C4D ga_36
7928 C1D ND C4D ga_6
7929 HHA CHA C1A ga_20
7930 HHA CHA C4D ga_20
7931 C1A CHA C4D ga_37
7932 NA C1A CHA ga_33
7933 NA C1A C2A ga_15
7934 CHA C1A C2A ga_38
7935 C1A C2A C3A ga_7
7936 C1A C2A CAA ga_37
7937 C3A C2A CAA ga_37
7938 C2A C3A C4A ga_7
7939 C2A C3A CMA ga_37
7940 C4A C3A CMA ga_37
7941 NA C4A C3A ga_15
7942 NA C4A CHB ga_33
7943 C3A C4A CHB ga_38
7944 C2A CAA CBA ga_15
7945 CAA CBA CGA ga_15
7946 CBA CGA O1A ga_22
7947 CBA CGA O2A ga_22
7948 O1A CGA O2A ga_38
7949 C4A CHB HHB ga_20
7950 C4A CHB C1B ga_37
7951 HHB CHB C1B ga_20
7952 NB C1B CHB ga_33
7953 NB C1B C2B ga_15
7954 CHB C1B C2B ga_38
7955 C1B C2B C3B ga_7
7956 C1B C2B CMB ga_37
7957 C3B C2B CMB ga_37
7958 C2B C3B C4B ga_7
7959 C2B C3B CAB ga_37
7960 C4B C3B CAB ga_37
7961 NB C4B C3B ga_15
7962 NB C4B CHC ga_33
7963 C3B C4B CHC ga_38
7964 C3B CAB CBB ga_37
7965 C4B CHC HHC ga_20
7966 C4B CHC C1C ga_37
7967 HHC CHC C1C ga_20
7968 NC C1C CHC ga_33
7969 NC C1C C2C ga_15
7970 CHC C1C C2C ga_38
7971 C1C C2C C3C ga_7
7972 C1C C2C CMC ga_37
7973 C3C C2C CMC ga_37
7974 C2C C3C C4C ga_7
7975 C2C C3C CAC ga_37
7976 C4C C3C CAC ga_37
7977 NC C4C C3C ga_15
7978 NC C4C CHD ga_33
7979 C3C C4C CHD ga_38
7980 C3C CAC CBC ga_37
7981 C4C CHD HHD ga_20
7982 C4C CHD C1D ga_37
7983 HHD CHD C1D ga_20
7984 ND C1D CHD ga_33
7985 ND C1D C2D ga_15
7986 CHD C1D C2D ga_38
7987 C1D C2D C3D ga_7
7988 C1D C2D CMD ga_37
7989 C3D C2D CMD ga_37
7990 C2D C3D C4D ga_7
7991 C2D C3D CAD ga_37
7992 C4D C3D CAD ga_37
7993 ND C4D CHA ga_33
7994 ND C4D C3D ga_15
7995 CHA C4D C3D ga_38
7996 C3D CAD CBD ga_15
7997 CAD CBD CGD ga_15
7998 CBD CGD O1D ga_22
7999 CBD CGD O2D ga_22
8000 O1D CGD O2D ga_38
8001 [ impropers ]
8002 ; ai aj ak al gromos type
8003 FE C1A C4A NA gi_3
8004 FE C1B C4B NB gi_3
8005 FE C1C C4C NC gi_3
8006 FE C1D C4D ND gi_3
8007 NA C1A C2A C3A gi_1
8008 NB C1B C2B C3B gi_1
8009 NC C1C C2C C3C gi_1
8010 ND C1D C2D C3D gi_1
8011 CHA NA C2A C1A gi_1
8012 CHA ND C3D C4D gi_1
8013 HHA C1A C4D CHA gi_1
8014 C1A NA C4A C3A gi_1
8015 C1A C2A C3A C4A gi_1
8016 C2A C1A C3A CAA gi_1
8017 C2A C3A C4A NA gi_1
8018 C3A C2A C4A CMA gi_1
8019 C4A NA C1A C2A gi_1
8020 CBA O1A O2A CGA gi_1
8021 CHB NA C3A C4A gi_1
8022 CHB NB C2B C1B gi_1
8023 CHB C4A C1B HHB gi_1
8024 C1B NB C4B C3B gi_1
8025 C1B C2B C3B C4B gi_1
8026 C2B C1B C3B CMB gi_1
8027 C2B C3B C4B NB gi_1
8028 C3B C2B C4B CAB gi_1
8029 C4B NB C1B C2B gi_1
8030 CHC NB C3B C4B gi_1
8031 CHC NC C2C C1C gi_1
8032 CHC C4B C1C HHC gi_1
8033 C1C NC C4C C3C gi_1
8034 C1C C2C C3C C4C gi_1
8035 C2C C1C C3C CMC gi_1
8036 C2C C3C C4C NC gi_1
8037 C3C C2C C4C CAC gi_1
8038 C4C NC C1C C2C gi_1
8039 CHD NC C3C C4C gi_1
8040 CHD ND C2D C1D gi_1
8041 CHD C4C C1D HHD gi_1
8042 C1D ND C4D C3D gi_1
8043 C1D C2D C3D C4D gi_1
8044 C2D C1D C3D CMD gi_1
8045 C2D C3D C4D ND gi_1
8046 C3D C2D C4D CAD gi_1
8047 C4D ND C1D C2D gi_1
8048 CBD O1D O2D CGD gi_1
8049 [ dihedrals ]
8050 ; ai aj ak al gromos type
8051 C4D CHA C1A NA gd_15
8052 C1A CHA C4D ND gd_15
8053 C1A C2A CAA CBA gd_40
8054 NA C4A CHB C1B gd_15
8055 C2A CAA CBA CGA gd_34
8056 CAA CBA CGA O1A gd_40
8057 C4A CHB C1B NB gd_15
8058 C2B C3B CAB CBB gd_9
8059 NB C4B CHC C1C gd_15
8060 C4B CHC C1C NC gd_15
8061 C2C C3C CAC CBC gd_9
8062 NC C4C CHD C1D gd_15
8063 C4C CHD C1D ND gd_15
8064 C2D C3D CAD CBD gd_40
8065 C3D CAD CBD CGD gd_34
8066 CAD CBD CGD O1D gd_40
8068 [ HEMC ]
8069 [ atoms ]
8070 FE FE 0.40000 0
8071 NA NR -0.10000 0
8072 NB NR -0.10000 0
8073 NC NR -0.10000 0
8074 ND NR -0.10000 0
8075 CHA C -0.10000 1
8076 HHA HC 0.10000 1
8077 C1A C 0.00000 2
8078 C2A C 0.00000 2
8079 C3A C 0.00000 2
8080 C4A C 0.00000 2
8081 CMA CH3 0.00000 3
8082 CAA CH2 0.00000 4
8083 CBA CH2 0.00000 4
8084 CGA C 0.27000 5
8085 O1A OM -0.63500 5
8086 O2A OM -0.63500 5
8087 CHB C -0.10000 6
8088 HHB HC 0.10000 6
8089 C1B C 0.00000 7
8090 C2B C 0.00000 7
8091 C3B C 0.00000 7
8092 C4B C 0.00000 7
8093 CMB CH3 0.00000 8
8094 CAB CR1 0.00000 9
8095 CBB CH2 0.00000 9
8096 CHC C -0.10000 10
8097 HHC HC 0.10000 10
8098 C1C C 0.00000 11
8099 C2C C 0.00000 11
8100 C3C C 0.00000 11
8101 C4C C 0.00000 11
8102 CMC CH3 0.00000 12
8103 CAC CR1 0.00000 13
8104 CBC CH2 0.00000 13
8105 CHD C -0.10000 14
8106 HHD HC 0.10000 14
8107 C1D C 0.00000 15
8108 C2D C 0.00000 15
8109 C3D C 0.00000 15
8110 C4D C 0.00000 15
8111 CMD CH3 0.00000 16
8112 CAD CH2 0.00000 17
8113 CBD CH2 0.00000 17
8114 CGD C 0.27000 18
8115 O1D OM -0.63500 18
8116 O2D OM -0.63500 18
8117 C1O C 0.00000 19
8118 O1C O 0.00000 19
8119 [ bonds ]
8120 FE NA gb_35
8121 FE NB gb_35
8122 FE NC gb_35
8123 FE ND gb_35
8124 FE C1O gb_30
8125 NA C1A gb_14
8126 NA C4A gb_14
8127 NB C1B gb_14
8128 NB C4B gb_14
8129 NC C1C gb_14
8130 NC C4C gb_14
8131 ND C1D gb_14
8132 ND C4D gb_14
8133 CHA HHA gb_3
8134 CHA C1A gb_17
8135 CHA C4D gb_17
8136 C1A C2A gb_17
8137 C2A C3A gb_17
8138 C2A CAA gb_27
8139 C3A C4A gb_17
8140 C3A CMA gb_27
8141 C4A CHB gb_17
8142 CAA CBA gb_27
8143 CBA CGA gb_27
8144 CGA O1A gb_6
8145 CGA O2A gb_6
8146 CHB HHB gb_3
8147 CHB C1B gb_17
8148 C1B C2B gb_17
8149 C2B C3B gb_17
8150 C2B CMB gb_27
8151 C3B C4B gb_17
8152 C3B CAB gb_27
8153 C4B CHC gb_17
8154 CAB CBB gb_12
8155 CHC HHC gb_3
8156 CHC C1C gb_17
8157 C1C C2C gb_17
8158 C2C C3C gb_17
8159 C2C CMC gb_27
8160 C3C C4C gb_17
8161 C3C CAC gb_27
8162 C4C CHD gb_17
8163 CAC CBC gb_12
8164 CHD HHD gb_3
8165 CHD C1D gb_17
8166 C1D C2D gb_17
8167 C2D C3D gb_17
8168 C2D CMD gb_27
8169 C3D C4D gb_17
8170 C3D CAD gb_27
8171 CAD CBD gb_27
8172 CBD CGD gb_27
8173 CGD O1D gb_6
8174 CGD O2D gb_6
8175 C1O O1C gb_4
8176 [ exclusions ]
8177 ; ai aj
8178 FE CHA
8179 FE C2A
8180 FE C3A
8181 FE CHB
8182 FE C2B
8183 FE C3B
8184 FE CHC
8185 FE C2C
8186 FE C3C
8187 FE CHD
8188 FE C2D
8189 FE C3D
8190 NA HHA
8191 NA CMA
8192 NA CAA
8193 NA HHB
8194 NA C1B
8195 NA C4B
8196 NA C1C
8197 NA C4C
8198 NA C1D
8199 NA C4D
8200 NA O1C
8201 NB C1A
8202 NB C4A
8203 NB HHB
8204 NB CMB
8205 NB CAB
8206 NB HHC
8207 NB C1C
8208 NB C4C
8209 NB C1D
8210 NB C4D
8211 NB O1C
8212 NC C1A
8213 NC C4A
8214 NC C1B
8215 NC C4B
8216 NC HHC
8217 NC CMC
8218 NC CAC
8219 NC HHD
8220 NC C1D
8221 NC C4D
8222 NC O1C
8223 ND HHA
8224 ND C1A
8225 ND C4A
8226 ND C1B
8227 ND C4B
8228 ND C1C
8229 ND C4C
8230 ND HHD
8231 ND CMD
8232 ND CAD
8233 ND O1C
8234 CHA C3A
8235 CHA C4A
8236 CHA CAA
8237 CHA C1D
8238 CHA C2D
8239 CHA CAD
8240 HHA C2A
8241 HHA C3D
8242 C1A CMA
8243 C1A CHB
8244 C1A C3D
8245 C1A C1O
8246 C2A CHB
8247 C3A HHB
8248 C3A C1B
8249 C4A CAA
8250 C4A C2B
8251 C4A C1O
8252 CMA CAA
8253 CMA CHB
8254 CHB C3B
8255 CHB C4B
8256 CHB CMB
8257 HHB C2B
8258 C1B CAB
8259 C1B CHC
8260 C1B C1O
8261 C2B CHC
8262 C3B HHC
8263 C3B C1C
8264 C4B CMB
8265 C4B C2C
8266 C4B C1O
8267 CMB CAB
8268 CAB CHC
8269 CHC C3C
8270 CHC C4C
8271 CHC CMC
8272 HHC C2C
8273 C1C CAC
8274 C1C CHD
8275 C1C C1O
8276 C2C CHD
8277 C3C HHD
8278 C3C C1D
8279 C4C CMC
8280 C4C C2D
8281 C4C C1O
8282 CMC CAC
8283 CAC CHD
8284 CHD C3D
8285 CHD C4D
8286 CHD CMD
8287 HHD C2D
8288 C1D CAD
8289 C1D C1O
8290 C4D CMD
8291 C4D C1O
8292 CMD CAD
8293 [ angles ]
8294 ; ai aj ak gromos type
8295 NA FE NB ga_2
8296 NA FE ND ga_2
8297 NA FE C1O ga_1
8298 NB FE NC ga_2
8299 NB FE C1O ga_1
8300 NC FE ND ga_2
8301 NC FE C1O ga_1
8302 ND FE C1O ga_1
8303 FE NA C1A ga_36
8304 FE NA C4A ga_36
8305 C1A NA C4A ga_6
8306 FE NB C1B ga_36
8307 FE NB C4B ga_36
8308 C1B NB C4B ga_6
8309 FE NC C1C ga_36
8310 FE NC C4C ga_36
8311 C1C NC C4C ga_6
8312 FE ND C1D ga_36
8313 FE ND C4D ga_36
8314 C1D ND C4D ga_6
8315 HHA CHA C1A ga_20
8316 HHA CHA C4D ga_20
8317 C1A CHA C4D ga_37
8318 NA C1A CHA ga_33
8319 NA C1A C2A ga_15
8320 CHA C1A C2A ga_38
8321 C1A C2A C3A ga_7
8322 C1A C2A CAA ga_37
8323 C3A C2A CAA ga_37
8324 C2A C3A C4A ga_7
8325 C2A C3A CMA ga_37
8326 C4A C3A CMA ga_37
8327 NA C4A C3A ga_15
8328 NA C4A CHB ga_33
8329 C3A C4A CHB ga_38
8330 C2A CAA CBA ga_15
8331 CAA CBA CGA ga_15
8332 CBA CGA O1A ga_22
8333 CBA CGA O2A ga_22
8334 O1A CGA O2A ga_38
8335 C4A CHB HHB ga_20
8336 C4A CHB C1B ga_37
8337 HHB CHB C1B ga_20
8338 NB C1B CHB ga_33
8339 NB C1B C2B ga_15
8340 CHB C1B C2B ga_38
8341 C1B C2B C3B ga_7
8342 C1B C2B CMB ga_37
8343 C3B C2B CMB ga_37
8344 C2B C3B C4B ga_7
8345 C2B C3B CAB ga_37
8346 C4B C3B CAB ga_37
8347 NB C4B C3B ga_15
8348 NB C4B CHC ga_33
8349 C3B C4B CHC ga_38
8350 C3B CAB CBB ga_37
8351 C4B CHC HHC ga_20
8352 C4B CHC C1C ga_37
8353 HHC CHC C1C ga_20
8354 NC C1C CHC ga_33
8355 NC C1C C2C ga_15
8356 CHC C1C C2C ga_38
8357 C1C C2C C3C ga_7
8358 C1C C2C CMC ga_37
8359 C3C C2C CMC ga_37
8360 C2C C3C C4C ga_7
8361 C2C C3C CAC ga_37
8362 C4C C3C CAC ga_37
8363 NC C4C C3C ga_15
8364 NC C4C CHD ga_33
8365 C3C C4C CHD ga_38
8366 C3C CAC CBC ga_37
8367 C4C CHD HHD ga_20
8368 C4C CHD C1D ga_37
8369 HHD CHD C1D ga_20
8370 ND C1D CHD ga_33
8371 ND C1D C2D ga_15
8372 CHD C1D C2D ga_38
8373 C1D C2D C3D ga_7
8374 C1D C2D CMD ga_37
8375 C3D C2D CMD ga_37
8376 C2D C3D C4D ga_7
8377 C2D C3D CAD ga_37
8378 C4D C3D CAD ga_37
8379 ND C4D CHA ga_33
8380 ND C4D C3D ga_15
8381 CHA C4D C3D ga_38
8382 C3D CAD CBD ga_15
8383 CAD CBD CGD ga_15
8384 CBD CGD O1D ga_22
8385 CBD CGD O2D ga_22
8386 O1D CGD O2D ga_38
8387 FE C1O O1C ga_41
8388 [ impropers ]
8389 ; ai aj ak al gromos type
8390 FE C1A C4A NA gi_3
8391 FE C1B C4B NB gi_3
8392 FE C1C C4C NC gi_3
8393 FE C1D C4D ND gi_3
8394 NA C1A C2A C3A gi_1
8395 NB C1B C2B C3B gi_1
8396 NC C1C C2C C3C gi_1
8397 ND C1D C2D C3D gi_1
8398 CHA NA C2A C1A gi_1
8399 CHA ND C3D C4D gi_1
8400 HHA C1A C4D CHA gi_1
8401 C1A NA C4A C3A gi_1
8402 C1A C2A C3A C4A gi_1
8403 C2A C1A C3A CAA gi_1
8404 C2A C3A C4A NA gi_1
8405 C3A C2A C4A CMA gi_1
8406 C4A NA C1A C2A gi_1
8407 CBA O1A O2A CGA gi_1
8408 CHB NA C3A C4A gi_1
8409 CHB NB C2B C1B gi_1
8410 CHB C4A C1B HHB gi_1
8411 C1B NB C4B C3B gi_1
8412 C1B C2B C3B C4B gi_1
8413 C2B C1B C3B CMB gi_1
8414 C2B C3B C4B NB gi_1
8415 C3B C2B C4B CAB gi_1
8416 C4B NB C1B C2B gi_1
8417 CHC NB C3B C4B gi_1
8418 CHC NC C2C C1C gi_1
8419 CHC C4B C1C HHC gi_1
8420 C1C NC C4C C3C gi_1
8421 C1C C2C C3C C4C gi_1
8422 C2C C1C C3C CMC gi_1
8423 C2C C3C C4C NC gi_1
8424 C3C C2C C4C CAC gi_1
8425 C4C NC C1C C2C gi_1
8426 CHD NC C3C C4C gi_1
8427 CHD ND C2D C1D gi_1
8428 CHD C4C C1D HHD gi_1
8429 C1D ND C4D C3D gi_1
8430 C1D C2D C3D C4D gi_1
8431 C2D C1D C3D CMD gi_1
8432 C2D C3D C4D ND gi_1
8433 C3D C2D C4D CAD gi_1
8434 C4D ND C1D C2D gi_1
8435 CBD O1D O2D CGD gi_1
8436 [ dihedrals ]
8437 ; ai aj ak al gromos type
8438 C4D CHA C1A NA gd_15
8439 C1A CHA C4D ND gd_15
8440 C1A C2A CAA CBA gd_40
8441 NA C4A CHB C1B gd_15
8442 C2A CAA CBA CGA gd_34
8443 CAA CBA CGA O1A gd_40
8444 C4A CHB C1B NB gd_15
8445 C2B C3B CAB CBB gd_9
8446 NB C4B CHC C1C gd_15
8447 C4B CHC C1C NC gd_15
8448 C2C C3C CAC CBC gd_9
8449 NC C4C CHD C1D gd_15
8450 C4C CHD C1D ND gd_15
8451 C2D C3D CAD CBD gd_40
8452 C3D CAD CBD CGD gd_34
8453 CAD CBD CGD O1D gd_40
8455 [ CYTa ]
8456 [ atoms ]
8457 C4* CH1 0.16000 0
8458 O4* OA -0.36000 0
8459 C1* CH1 0.20000 0
8460 N1 NR -0.20000 1
8461 C6 CR1 0.20000 1
8462 C2 C 0.38000 2
8463 O2 O -0.38000 2
8464 N3 NR -0.36000 3
8465 C4 C 0.36000 3
8466 N4 NT -0.83000 4
8467 H41 H 0.41500 4
8468 H42 H 0.41500 4
8469 C5 CR1 0.00000 5
8470 C2* CH1 0.15000 6
8471 O2* OA -0.54800 6
8472 H2* H 0.39800 6
8473 C3* CH1 0.00000 7
8474 O3* OA -0.36000 8
8475 SI1 P 0.54000 8
8476 OSI OA -0.36000 8
8477 SI2 P 0.54000 8
8478 O5* OA -0.36000 8
8479 C5* CH2r 0.00000 9
8480 C11 CH1 0.00000 10
8481 C111 CH3 0.00000 10
8482 C112 CH3 0.00000 10
8483 C12 CH1 0.00000 11
8484 C121 CH3 0.00000 11
8485 C122 CH3 0.00000 11
8486 C21 CH1 0.00000 12
8487 C211 CH3 0.00000 12
8488 C212 CH3 0.00000 12
8489 C22 CH1 0.00000 13
8490 C221 CH3 0.00000 13
8491 C222 CH3 0.00000 13
8492 [ bonds ]
8493 C4* O4* gb_20
8494 C4* C3* gb_26
8495 C4* C5* gb_26
8496 O4* C1* gb_20
8497 C1* N1 gb_23
8498 C1* C2* gb_26
8499 N1 C6 gb_17
8500 N1 C2 gb_17
8501 C6 C5 gb_16
8502 C2 O2 gb_5
8503 C2 N3 gb_12
8504 N3 C4 gb_12
8505 C4 N4 gb_9
8506 C4 C5 gb_16
8507 N4 H41 gb_2
8508 N4 H42 gb_2
8509 C2* O2* gb_20
8510 C2* C3* gb_26
8511 O2* H2* gb_1
8512 C3* O3* gb_20
8513 O3* SI1 gb_29
8514 SI1 OSI gb_29
8515 SI1 C11 gb_33
8516 SI1 C12 gb_33
8517 OSI SI2 gb_29
8518 SI2 O5* gb_29
8519 SI2 C21 gb_33
8520 SI2 C22 gb_33
8521 O5* C5* gb_20
8522 C11 C111 gb_27
8523 C11 C112 gb_27
8524 C12 C121 gb_27
8525 C12 C122 gb_27
8526 C21 C211 gb_27
8527 C21 C212 gb_27
8528 C22 C221 gb_27
8529 C22 C222 gb_27
8530 [ exclusions ]
8531 ; ai aj
8532 C1* O2
8533 C1* N3
8534 C1* C5
8535 N1 C4
8536 C6 O2
8537 C6 N3
8538 C6 N4
8539 C2 N4
8540 C2 C5
8541 O2 C4
8542 [ angles ]
8543 ; ai aj ak gromos type
8544 O4* C4* C3* ga_9
8545 O4* C4* C5* ga_9
8546 C3* C4* C5* ga_8
8547 C4* O4* C1* ga_10
8548 O4* C1* N1 ga_9
8549 O4* C1* C2* ga_9
8550 N1 C1* C2* ga_8
8551 C1* N1 C6 ga_27
8552 C1* N1 C2 ga_27
8553 C6 N1 C2 ga_27
8554 N1 C6 C5 ga_27
8555 N1 C2 O2 ga_27
8556 N1 C2 N3 ga_27
8557 O2 C2 N3 ga_27
8558 C2 N3 C4 ga_27
8559 N3 C4 N4 ga_27
8560 N3 C4 C5 ga_27
8561 N4 C4 C5 ga_27
8562 C4 N4 H41 ga_23
8563 C4 N4 H42 ga_23
8564 H41 N4 H42 ga_24
8565 C6 C5 C4 ga_27
8566 C1* C2* O2* ga_9
8567 C1* C2* C3* ga_8
8568 O2* C2* C3* ga_9
8569 C2* O2* H2* ga_12
8570 C4* C3* C2* ga_8
8571 C4* C3* O3* ga_9
8572 C2* C3* O3* ga_9
8573 C3* O3* SI1 ga_26
8574 O3* SI1 OSI ga_12
8575 O3* SI1 C11 ga_12
8576 O3* SI1 C12 ga_12
8577 OSI SI1 C11 ga_12
8578 OSI SI1 C12 ga_12
8579 C11 SI1 C12 ga_12
8580 SI1 OSI SI2 ga_40
8581 OSI SI2 O5* ga_12
8582 OSI SI2 C21 ga_12
8583 OSI SI2 C22 ga_12
8584 O5* SI2 C21 ga_12
8585 O5* SI2 C22 ga_12
8586 C21 SI2 C22 ga_12
8587 SI2 O5* C5* ga_26
8588 C4* C5* O5* ga_9
8589 SI1 C11 C111 ga_13
8590 SI1 C11 C112 ga_13
8591 C111 C11 C112 ga_15
8592 SI1 C12 C121 ga_13
8593 SI1 C12 C122 ga_13
8594 C121 C12 C122 ga_15
8595 SI2 C21 C211 ga_13
8596 SI2 C21 C212 ga_13
8597 C211 C21 C212 ga_15
8598 SI2 C22 C221 ga_13
8599 SI2 C22 C222 ga_13
8600 C221 C22 C222 ga_15
8601 [ impropers ]
8602 ; ai aj ak al gromos type
8603 C4* O4* C5* C3* gi_2
8604 N1 C6 C2 C1* gi_1
8605 N1 C6 C5 C4 gi_1
8606 N1 C2 N3 C4 gi_1
8607 C6 N1 C2 N3 gi_1
8608 C2 N1 C6 C5 gi_1
8609 C2 N3 C4 C5 gi_1
8610 O2 N1 N3 C2 gi_1
8611 N3 C4 C5 C6 gi_1
8612 N4 N3 C5 C4 gi_1
8613 N4 H41 H42 C4 gi_1
8614 C2* O4* N1 C1* gi_2
8615 C2* O2* C3* C1* gi_2
8616 C3* C2* O3* C4* gi_2
8617 SI1 C111 C112 C11 gi_2
8618 SI1 C121 C122 C12 gi_2
8619 SI2 C211 C212 C21 gi_2
8620 SI2 C221 C222 C22 gi_2
8621 [ dihedrals ]
8622 ; ai aj ak al gromos type
8623 C3* C4* O4* C1* gd_29
8624 O4* C4* C3* C2* gd_17
8625 O4* C4* C3* O3* gd_18
8626 C5* C4* C3* C2* gd_34
8627 C5* C4* C3* O3* gd_17
8628 O4* C4* C5* O5* gd_18
8629 C3* C4* C5* O5* gd_17
8630 C3* C4* C5* O5* gd_34
8631 C4* O4* C1* C2* gd_29
8632 O4* C1* N1 C2 gd_16
8633 O4* C1* C2* O2* gd_18
8634 O4* C1* C2* C3* gd_17
8635 O4* C1* C2* C3* gd_34
8636 N1 C1* C2* O2* gd_17
8637 N3 C4 N4 H41 gd_14
8638 C1* C2* O2* H2* gd_23
8639 C1* C2* C3* C4* gd_34
8640 C1* C2* C3* O3* gd_17
8641 O2* C2* C3* C4* gd_17
8642 O2* C2* C3* O3* gd_18
8643 C4* C3* O3* SI1 gd_29
8644 C3* O3* SI1 OSI gd_29
8645 O3* SI1 OSI SI2 gd_29
8646 O3* SI1 C11 C111 gd_34
8647 O3* SI1 C12 C121 gd_34
8648 SI1 OSI SI2 O5* gd_29
8649 OSI SI2 O5* C5* gd_29
8650 O5* SI2 C21 C211 gd_34
8651 O5* SI2 C22 C221 gd_34
8652 SI2 O5* C5* C4* gd_29
8654 [ MTXH ]
8655 [ atoms ]
8656 N1 NR -0.28000 0
8657 HA1 H 0.28000 0
8658 C2 C 0.00000 0
8659 NA2 NT -0.83000 1
8660 HA21 H 0.41500 1
8661 HA22 H 0.41500 1
8662 N3 NR -0.36000 2
8663 C4 C 0.36000 2
8664 NA4 NT -0.83000 3
8665 HA41 H 0.41500 3
8666 HA42 H 0.41500 3
8667 C4A C 0.00000 4
8668 N5 NR -0.36000 4
8669 C6 C 0.36000 4
8670 C7 CR1 0.36000 5
8671 N8 NR -0.36000 5
8672 C8A C 0.00000 5
8673 C9 CH2 0.00000 6
8674 N10 NE 0.00000 6
8675 CM10 CH3 0.00000 6
8676 C14 C 0.00000 7
8677 C13 CR1 0.00000 7
8678 C15 CR1 0.00000 7
8679 C12 CR1 0.00000 8
8680 C16 CR1 0.00000 8
8681 C11 C 0.00000 8
8682 C C 0.38000 9
8683 O O -0.38000 9
8684 N N -0.28000 10
8685 H H 0.28000 10
8686 CA CH1 0.00000 11
8687 CB CH2 0.00000 11
8688 CG CH2 0.00000 11
8689 CD C 0.27000 12
8690 OE1 OM -0.63500 12
8691 OE2 OM -0.63500 12
8692 CT C 0.27000 13
8693 O1 OM -0.63500 13
8694 O2 OM -0.63500 13
8695 [ bonds ]
8696 N1 HA1 gb_2
8697 N1 C2 gb_17
8698 N1 C8A gb_17
8699 C2 NA2 gb_9
8700 C2 N3 gb_12
8701 NA2 HA21 gb_2
8702 NA2 HA22 gb_2
8703 N3 C4 gb_12
8704 C4 NA4 gb_9
8705 C4 C4A gb_16
8706 NA4 HA41 gb_2
8707 NA4 HA42 gb_2
8708 C4A N5 gb_12
8709 C4A C8A gb_16
8710 N5 C6 gb_12
8711 C6 C7 gb_16
8712 C6 C9 gb_27
8713 C7 N8 gb_7
8714 N8 C8A gb_12
8715 C9 N10 gb_21
8716 N10 CM10 gb_21
8717 N10 C14 gb_11
8718 C14 C13 gb_16
8719 C14 C15 gb_16
8720 C13 C12 gb_16
8721 C15 C16 gb_16
8722 C12 C11 gb_16
8723 C16 C11 gb_16
8724 C11 C gb_27
8725 C O gb_5
8726 C N gb_10
8727 N H gb_2
8728 N CA gb_21
8729 CA CB gb_27
8730 CA CT gb_27
8731 CB CG gb_27
8732 CG CD gb_27
8733 CD OE1 gb_6
8734 CD OE2 gb_6
8735 CT O1 gb_6
8736 CT O2 gb_6
8737 [ exclusions ]
8738 ; ai aj
8739 N1 C4
8740 N1 N5
8741 N1 C7
8742 HA1 NA2
8743 HA1 N3
8744 HA1 C4A
8745 HA1 N8
8746 C2 NA4
8747 C2 C4A
8748 C2 N8
8749 NA2 C4
8750 NA2 C8A
8751 N3 N5
8752 N3 C8A
8753 C4 C6
8754 C4 N8
8755 NA4 N5
8756 NA4 C8A
8757 C4A C7
8758 C4A C9
8759 N5 N8
8760 C6 C8A
8761 N8 C9
8762 N10 C12
8763 N10 C16
8764 C14 C11
8765 C13 C16
8766 C13 C
8767 C15 C12
8768 C15 C
8769 [ angles ]
8770 ; ai aj ak gromos type
8771 HA1 N1 C2 ga_25
8772 HA1 N1 C8A ga_25
8773 C2 N1 C8A ga_27
8774 N1 C2 NA2 ga_27
8775 N1 C2 N3 ga_27
8776 NA2 C2 N3 ga_27
8777 C2 NA2 HA21 ga_23
8778 C2 NA2 HA22 ga_23
8779 HA21 NA2 HA22 ga_24
8780 C2 N3 C4 ga_27
8781 N3 C4 NA4 ga_27
8782 N3 C4 C4A ga_27
8783 NA4 C4 C4A ga_27
8784 C4 NA4 HA41 ga_23
8785 C4 NA4 HA42 ga_23
8786 HA41 NA4 HA42 ga_24
8787 C4 C4A N5 ga_27
8788 C4 C4A C8A ga_27
8789 N5 C4A C8A ga_27
8790 C4A N5 C6 ga_27
8791 N5 C6 C7 ga_27
8792 N5 C6 C9 ga_27
8793 C7 C6 C9 ga_27
8794 C6 C7 N8 ga_27
8795 C7 N8 C8A ga_27
8796 N1 C8A C4A ga_27
8797 N1 C8A N8 ga_27
8798 C4A C8A N8 ga_27
8799 C6 C9 N10 ga_15
8800 C9 N10 CM10 ga_20
8801 C9 N10 C14 ga_33
8802 CM10 N10 C14 ga_23
8803 N10 C14 C13 ga_27
8804 N10 C14 C15 ga_27
8805 C13 C14 C15 ga_27
8806 C14 C13 C12 ga_27
8807 C14 C15 C16 ga_27
8808 C13 C12 C11 ga_27
8809 C15 C16 C11 ga_27
8810 C12 C11 C16 ga_27
8811 C12 C11 C ga_27
8812 C16 C11 C ga_27
8813 C11 C O ga_30
8814 C11 C N ga_19
8815 O C N ga_33
8816 C N H ga_32
8817 C N CA ga_31
8818 H N CA ga_18
8819 N CA CB ga_13
8820 N CA CT ga_13
8821 CB CA CT ga_13
8822 CA CB CG ga_15
8823 CB CG CD ga_15
8824 CG CD OE1 ga_22
8825 CG CD OE2 ga_22
8826 OE1 CD OE2 ga_38
8827 CA CT O1 ga_22
8828 CA CT O2 ga_22
8829 O1 CT O2 ga_38
8830 [ impropers ]
8831 ; ai aj ak al gromos type
8832 N1 C2 N3 C4 gi_1
8833 N1 C2 C8A HA1 gi_1
8834 C2 N1 N3 NA2 gi_1
8835 C2 N1 C8A C4A gi_1
8836 C2 N3 C4 C4A gi_1
8837 NA2 HA21 HA22 C2 gi_1
8838 N3 C4 C4A C8A gi_1
8839 C4 N3 C4A NA4 gi_1
8840 C4 C4A C8A N1 gi_1
8841 NA4 HA41 HA42 C4 gi_1
8842 C4A C4 N5 C8A gi_1
8843 C4A N5 C6 C7 gi_1
8844 N5 C4A C8A N8 gi_1
8845 N5 C6 C7 N8 gi_1
8846 C6 N5 C7 C9 gi_1
8847 C6 C7 N8 C8A gi_1
8848 C7 N8 C8A C4A gi_1
8849 C8A N1 C2 N3 gi_1
8850 C8A N1 N8 C4A gi_1
8851 C8A C4A N5 C6 gi_1
8852 N10 C9 C14 CM10 gi_1
8853 C14 C13 C15 N10 gi_1
8854 C14 C13 C12 C11 gi_1
8855 C14 C15 C16 C11 gi_1
8856 C13 C14 C15 C16 gi_1
8857 C13 C12 C11 C16 gi_1
8858 C15 C14 C13 C12 gi_1
8859 C15 C16 C11 C12 gi_1
8860 C11 C12 C16 C gi_1
8861 C C11 N O gi_1
8862 N C CA H gi_1
8863 CA N CT CB gi_2
8864 CD OE1 OE2 CG gi_1
8865 CT CA O2 O1 gi_1
8866 [ dihedrals ]
8867 ; ai aj ak al gromos type
8868 N1 C2 NA2 HA21 gd_14
8869 C4A C4 NA4 HA41 gd_14
8870 N5 C6 C9 N10 gd_40
8871 C6 C9 N10 C14 gd_39
8872 C9 N10 C14 C13 gd_14
8873 C12 C11 C N gd_10
8874 C11 C N CA gd_14
8875 C N CA CT gd_39
8876 N CA CB CG gd_34
8877 N CA CT O1 gd_40
8878 CA CB CG CD gd_34
8879 CB CG CD OE1 gd_40
8881 [ FOL ]
8882 [ atoms ]
8883 N1 NR -0.36000 0
8884 C2 C 0.36000 0
8885 NA2 NT -0.83000 1
8886 HA21 H 0.41500 1
8887 HA22 H 0.41500 1
8888 N3 NR -0.28000 2
8889 HA3 H 0.28000 2
8890 C4 C 0.38000 3
8891 OA4 O -0.38000 3
8892 C4A C 0.00000 4
8893 N5 NR -0.36000 4
8894 C6 C 0.36000 4
8895 C7 CR1 0.36000 5
8896 N8 NR -0.36000 5
8897 C8A C 0.00000 5
8898 C9 CH2 0.00000 6
8899 N10 NE -0.28000 6
8900 H10 H 0.28000 6
8901 C14 C 0.00000 7
8902 C13 CR1 0.00000 7
8903 C15 CR1 0.00000 7
8904 C12 CR1 0.00000 8
8905 C16 CR1 0.00000 8
8906 C11 C 0.00000 8
8907 C C 0.38000 9
8908 O O -0.38000 9
8909 N N -0.28000 10
8910 H H 0.28000 10
8911 CA CH1 0.00000 11
8912 CB CH2 0.00000 11
8913 CG CH2 0.00000 11
8914 CD C 0.27000 12
8915 OE1 OM -0.63500 12
8916 OE2 OM -0.63500 12
8917 CT C 0.27000 13
8918 O1 OM -0.63500 13
8919 O2 OM -0.63500 13
8920 [ bonds ]
8921 N1 C2 gb_12
8922 N1 C8A gb_12
8923 C2 NA2 gb_9
8924 C2 N3 gb_17
8925 NA2 HA21 gb_2
8926 NA2 HA22 gb_2
8927 N3 HA3 gb_2
8928 N3 C4 gb_17
8929 C4 OA4 gb_5
8930 C4 C4A gb_16
8931 C4A N5 gb_12
8932 C4A C8A gb_16
8933 N5 C6 gb_12
8934 C6 C7 gb_16
8935 C6 C9 gb_27
8936 C7 N8 gb_7
8937 N8 C8A gb_12
8938 C9 N10 gb_21
8939 N10 H10 gb_2
8940 N10 C14 gb_11
8941 C14 C13 gb_16
8942 C14 C15 gb_16
8943 C13 C12 gb_16
8944 C15 C16 gb_16
8945 C12 C11 gb_16
8946 C16 C11 gb_16
8947 C11 C gb_27
8948 C O gb_5
8949 C N gb_10
8950 N H gb_2
8951 N CA gb_21
8952 CA CB gb_27
8953 CA CT gb_27
8954 CB CG gb_27
8955 CG CD gb_27
8956 CD OE1 gb_6
8957 CD OE2 gb_6
8958 CT O1 gb_6
8959 CT O2 gb_6
8960 [ exclusions ]
8961 ; ai aj
8962 N1 HA3
8963 N1 C4
8964 N1 N5
8965 N1 C7
8966 C2 OA4
8967 C2 C4A
8968 C2 N8
8969 NA2 HA3
8970 NA2 C4
8971 NA2 C8A
8972 N3 N5
8973 N3 C8A
8974 HA3 OA4
8975 HA3 C4A
8976 C4 C6
8977 C4 N8
8978 OA4 N5
8979 OA4 C8A
8980 C4A C7
8981 C4A C9
8982 N5 N8
8983 C6 C8A
8984 N8 C9
8985 N10 C12
8986 N10 C16
8987 C14 C11
8988 C13 C16
8989 C13 C
8990 C15 C12
8991 C15 C
8992 [ angles ]
8993 ; ai aj ak gromos type
8994 C2 N1 C8A ga_27
8995 N1 C2 NA2 ga_27
8996 N1 C2 N3 ga_27
8997 NA2 C2 N3 ga_27
8998 C2 NA2 HA21 ga_23
8999 C2 NA2 HA22 ga_23
9000 HA21 NA2 HA22 ga_24
9001 C2 N3 HA3 ga_25
9002 C2 N3 C4 ga_27
9003 HA3 N3 C4 ga_25
9004 N3 C4 OA4 ga_27
9005 N3 C4 C4A ga_27
9006 OA4 C4 C4A ga_27
9007 C4 C4A N5 ga_27
9008 C4 C4A C8A ga_27
9009 N5 C4A C8A ga_27
9010 C4A N5 C6 ga_27
9011 N5 C6 C7 ga_27
9012 N5 C6 C9 ga_27
9013 C7 C6 C9 ga_27
9014 C6 C7 N8 ga_27
9015 C7 N8 C8A ga_27
9016 N1 C8A C4A ga_27
9017 N1 C8A N8 ga_27
9018 C4A C8A N8 ga_27
9019 C6 C9 N10 ga_15
9020 C9 N10 H10 ga_20
9021 C9 N10 C14 ga_33
9022 H10 N10 C14 ga_23
9023 N10 C14 C13 ga_27
9024 N10 C14 C15 ga_27
9025 C13 C14 C15 ga_27
9026 C14 C13 C12 ga_27
9027 C14 C15 C16 ga_27
9028 C13 C12 C11 ga_27
9029 C15 C16 C11 ga_27
9030 C12 C11 C16 ga_27
9031 C12 C11 C ga_27
9032 C16 C11 C ga_27
9033 C11 C O ga_30
9034 C11 C N ga_19
9035 O C N ga_33
9036 C N H ga_32
9037 C N CA ga_31
9038 H N CA ga_18
9039 N CA CB ga_13
9040 N CA CT ga_13
9041 CB CA CT ga_13
9042 CA CB CG ga_15
9043 CB CG CD ga_15
9044 CG CD OE1 ga_22
9045 CG CD OE2 ga_22
9046 OE1 CD OE2 ga_38
9047 CA CT O1 ga_22
9048 CA CT O2 ga_22
9049 O1 CT O2 ga_38
9050 [ impropers ]
9051 ; ai aj ak al gromos type
9052 N1 C2 N3 C4 gi_1
9053 C2 N1 N3 NA2 gi_1
9054 C2 N1 C8A C4A gi_1
9055 C2 N3 C4 C4A gi_1
9056 NA2 HA21 HA22 C2 gi_1
9057 N3 C2 C4 HA3 gi_1
9058 N3 C4 C4A C8A gi_1
9059 C4 N3 C4A OA4 gi_1
9060 C4 C4A C8A N1 gi_1
9061 C4A C4 N5 C8A gi_1
9062 C4A N5 C6 C7 gi_1
9063 N5 C4A C8A N8 gi_1
9064 N5 C6 C7 N8 gi_1
9065 C6 N5 C7 C9 gi_1
9066 C6 C7 N8 C8A gi_1
9067 C7 N8 C8A C4A gi_1
9068 C8A N1 C2 N3 gi_1
9069 C8A N1 N8 C4A gi_1
9070 C8A C4A N5 C6 gi_1
9071 N10 C9 C14 H10 gi_1
9072 C14 C13 C15 N10 gi_1
9073 C14 C13 C12 C11 gi_1
9074 C14 C15 C16 C11 gi_1
9075 C13 C14 C15 C16 gi_1
9076 C13 C12 C11 C16 gi_1
9077 C15 C14 C13 C12 gi_1
9078 C15 C16 C11 C12 gi_1
9079 C11 C12 C16 C gi_1
9080 C C11 N O gi_1
9081 N C CA H gi_1
9082 CA N CT CB gi_2
9083 CD OE1 OE2 CG gi_1
9084 CT CA O2 O1 gi_1
9085 [ dihedrals ]
9086 ; ai aj ak al gromos type
9087 N1 C2 NA2 HA21 gd_14
9088 N5 C6 C9 N10 gd_40
9089 C6 C9 N10 C14 gd_39
9090 C9 N10 C14 C13 gd_14
9091 C12 C11 C N gd_10
9092 C11 C N CA gd_14
9093 C N CA CT gd_39
9094 N CA CB CG gd_34
9095 N CA CT O1 gd_40
9096 CA CB CG CD gd_34
9097 CB CG CD OE1 gd_40
9099 [ DHF ]
9100 [ atoms ]
9101 N1 NR -0.36000 0
9102 C2 C 0.36000 0
9103 NA2 NT -0.83000 1
9104 HA21 H 0.41500 1
9105 HA22 H 0.41500 1
9106 N3 NR -0.28000 2
9107 HA3 H 0.28000 2
9108 C4 C 0.38000 3
9109 OA4 O -0.38000 3
9110 C4A C 0.00000 4
9111 N5 NR -0.36000 4
9112 C6 C 0.36000 4
9113 C7 CH2 0.00000 5
9114 N8 NR -0.28000 5
9115 HA8 H 0.28000 5
9116 C8A C 0.00000 5
9117 C9 CH2 0.00000 6
9118 N10 NE -0.28000 6
9119 H10 H 0.28000 6
9120 C14 C 0.00000 7
9121 C13 CR1 0.00000 7
9122 C15 CR1 0.00000 7
9123 C12 CR1 0.00000 8
9124 C16 CR1 0.00000 8
9125 C11 C 0.00000 8
9126 C C 0.38000 9
9127 O O -0.38000 9
9128 N N -0.28000 10
9129 H H 0.28000 10
9130 CA CH1 0.00000 11
9131 CB CH2 0.00000 11
9132 CG CH2 0.00000 11
9133 CD C 0.27000 12
9134 OE1 OM -0.63500 12
9135 OE2 OM -0.63500 12
9136 CT C 0.27000 13
9137 O1 OM -0.63500 13
9138 O2 OM -0.63500 13
9139 [ bonds ]
9140 N1 C2 gb_12
9141 N1 C8A gb_12
9142 C2 NA2 gb_9
9143 C2 N3 gb_17
9144 NA2 HA21 gb_2
9145 NA2 HA22 gb_2
9146 N3 HA3 gb_2
9147 N3 C4 gb_17
9148 C4 OA4 gb_5
9149 C4 C4A gb_16
9150 C4A N5 gb_12
9151 C4A C8A gb_16
9152 N5 C6 gb_12
9153 C6 C7 gb_15
9154 C6 C9 gb_27
9155 C7 N8 gb_17
9156 N8 HA8 gb_2
9157 N8 C8A gb_17
9158 C9 N10 gb_21
9159 N10 H10 gb_2
9160 N10 C14 gb_11
9161 C14 C13 gb_16
9162 C14 C15 gb_16
9163 C13 C12 gb_16
9164 C15 C16 gb_16
9165 C12 C11 gb_16
9166 C16 C11 gb_16
9167 C11 C gb_27
9168 C O gb_5
9169 C N gb_10
9170 N H gb_2
9171 N CA gb_21
9172 CA CB gb_27
9173 CA CT gb_27
9174 CB CG gb_27
9175 CG CD gb_27
9176 CD OE1 gb_6
9177 CD OE2 gb_6
9178 CT O1 gb_6
9179 CT O2 gb_6
9180 [ exclusions ]
9181 ; ai aj
9182 N1 HA3
9183 N1 C4
9184 N1 N5
9185 N1 C7
9186 N1 HA8
9187 C2 OA4
9188 C2 C4A
9189 C2 N8
9190 NA2 HA3
9191 NA2 C4
9192 NA2 C8A
9193 N3 N5
9194 N3 C8A
9195 HA3 OA4
9196 HA3 C4A
9197 C4 C6
9198 C4 N8
9199 OA4 N5
9200 OA4 C8A
9201 C4A C7
9202 C4A HA8
9203 C4A C9
9204 N5 N8
9205 C6 HA8
9206 C6 C8A
9207 N8 C9
9208 N10 C12
9209 N10 C16
9210 C14 C11
9211 C13 C16
9212 C13 C
9213 C15 C12
9214 C15 C
9215 [ angles ]
9216 ; ai aj ak gromos type
9217 C2 N1 C8A ga_27
9218 N1 C2 NA2 ga_27
9219 N1 C2 N3 ga_27
9220 NA2 C2 N3 ga_27
9221 C2 NA2 HA21 ga_23
9222 C2 NA2 HA22 ga_23
9223 HA21 NA2 HA22 ga_24
9224 C2 N3 HA3 ga_25
9225 C2 N3 C4 ga_27
9226 HA3 N3 C4 ga_25
9227 N3 C4 OA4 ga_27
9228 N3 C4 C4A ga_27
9229 OA4 C4 C4A ga_27
9230 C4 C4A N5 ga_27
9231 C4 C4A C8A ga_27
9232 N5 C4A C8A ga_27
9233 C4A N5 C6 ga_27
9234 N5 C6 C7 ga_27
9235 N5 C6 C9 ga_27
9236 C7 C6 C9 ga_27
9237 C6 C7 N8 ga_27
9238 C7 N8 HA8 ga_25
9239 C7 N8 C8A ga_27
9240 HA8 N8 C8A ga_25
9241 N1 C8A C4A ga_27
9242 N1 C8A N8 ga_27
9243 C4A C8A N8 ga_27
9244 C6 C9 N10 ga_15
9245 C9 N10 H10 ga_20
9246 C9 N10 C14 ga_33
9247 H10 N10 C14 ga_23
9248 N10 C14 C13 ga_27
9249 N10 C14 C15 ga_27
9250 C13 C14 C15 ga_27
9251 C14 C13 C12 ga_27
9252 C14 C15 C16 ga_27
9253 C13 C12 C11 ga_27
9254 C15 C16 C11 ga_27
9255 C12 C11 C16 ga_27
9256 C12 C11 C ga_27
9257 C16 C11 C ga_27
9258 C11 C O ga_30
9259 C11 C N ga_19
9260 O C N ga_33
9261 C N H ga_32
9262 C N CA ga_31
9263 H N CA ga_18
9264 N CA CB ga_13
9265 N CA CT ga_13
9266 CB CA CT ga_13
9267 CA CB CG ga_15
9268 CB CG CD ga_15
9269 CG CD OE1 ga_22
9270 CG CD OE2 ga_22
9271 OE1 CD OE2 ga_38
9272 CA CT O1 ga_22
9273 CA CT O2 ga_22
9274 O1 CT O2 ga_38
9275 [ impropers ]
9276 ; ai aj ak al gromos type
9277 N1 C2 N3 C4 gi_1
9278 C2 N1 N3 NA2 gi_1
9279 C2 N1 C8A C4A gi_1
9280 C2 N3 C4 C4A gi_1
9281 NA2 HA21 HA22 C2 gi_1
9282 N3 C2 C4 HA3 gi_1
9283 N3 C4 C4A C8A gi_1
9284 C4 N3 C4A OA4 gi_1
9285 C4 C4A C8A N1 gi_1
9286 C4A C4 N5 C8A gi_1
9287 C4A N5 C6 C7 gi_1
9288 N5 C4A C8A N8 gi_1
9289 N5 C6 C7 N8 gi_1
9290 C6 N5 C7 C9 gi_1
9291 C6 C7 N8 C8A gi_1
9292 C7 N8 C8A C4A gi_1
9293 N8 C7 C8A HA8 gi_1
9294 C8A N1 C2 N3 gi_1
9295 C8A N1 N8 C4A gi_1
9296 C8A C4A N5 C6 gi_1
9297 N10 C9 C14 H10 gi_1
9298 C14 C13 C15 N10 gi_1
9299 C14 C13 C12 C11 gi_1
9300 C14 C15 C16 C11 gi_1
9301 C13 C14 C15 C16 gi_1
9302 C13 C12 C11 C16 gi_1
9303 C15 C14 C13 C12 gi_1
9304 C15 C16 C11 C12 gi_1
9305 C11 C12 C16 C gi_1
9306 C C11 N O gi_1
9307 N C CA H gi_1
9308 CA N CT CB gi_2
9309 CD OE1 OE2 CG gi_1
9310 CT CA O2 O1 gi_1
9311 [ dihedrals ]
9312 ; ai aj ak al gromos type
9313 N1 C2 NA2 HA21 gd_14
9314 N5 C6 C9 N10 gd_40
9315 C6 C9 N10 C14 gd_39
9316 C9 N10 C14 C13 gd_14
9317 C12 C11 C N gd_10
9318 C11 C N CA gd_14
9319 C N CA CT gd_39
9320 N CA CB CG gd_34
9321 N CA CT O1 gd_40
9322 CA CB CG CD gd_34
9323 CB CG CD OE1 gd_40
9325 [ THF ]
9326 [ atoms ]
9327 N1 NR -0.36000 0
9328 C2 C 0.36000 0
9329 NA2 NT -0.83000 1
9330 HA21 H 0.41500 1
9331 HA22 H 0.41500 1
9332 N3 NR -0.28000 2
9333 HA3 H 0.28000 2
9334 C4 C 0.38000 3
9335 OA4 O -0.38000 3
9336 C4A C 0.00000 4
9337 N5 NR -0.28000 4
9338 HA5 H 0.28000 4
9339 C6 CH1 0.00000 4
9340 C7 CH2 0.00000 5
9341 N8 NR -0.28000 5
9342 HA8 H 0.28000 5
9343 C8A C 0.00000 5
9344 C9 CH2 0.00000 6
9345 N10 NE -0.28000 6
9346 H10 H 0.28000 6
9347 C14 C 0.00000 7
9348 C13 CR1 0.00000 7
9349 C15 CR1 0.00000 7
9350 C12 CR1 0.00000 8
9351 C16 CR1 0.00000 8
9352 C11 C 0.00000 8
9353 C C 0.38000 9
9354 O O -0.38000 9
9355 N N -0.28000 10
9356 H H 0.28000 10
9357 CA CH1 0.00000 11
9358 CB CH2 0.00000 11
9359 CG CH2 0.00000 11
9360 CD C 0.27000 12
9361 OE1 OM -0.63500 12
9362 OE2 OM -0.63500 12
9363 CT C 0.27000 13
9364 O1 OM -0.63500 13
9365 O2 OM -0.63500 13
9366 [ bonds ]
9367 N1 C2 gb_12
9368 N1 C8A gb_12
9369 C2 NA2 gb_9
9370 C2 N3 gb_17
9371 NA2 HA21 gb_2
9372 NA2 HA22 gb_2
9373 N3 HA3 gb_2
9374 N3 C4 gb_17
9375 C4 OA4 gb_5
9376 C4 C4A gb_16
9377 C4A N5 gb_17
9378 C4A C8A gb_16
9379 N5 HA5 gb_2
9380 N5 C6 gb_23
9381 C6 C7 gb_26
9382 C6 C9 gb_27
9383 C7 N8 gb_23
9384 N8 HA8 gb_2
9385 N8 C8A gb_17
9386 C9 N10 gb_21
9387 N10 H10 gb_2
9388 N10 C14 gb_11
9389 C14 C13 gb_16
9390 C14 C15 gb_16
9391 C13 C12 gb_16
9392 C15 C16 gb_16
9393 C12 C11 gb_16
9394 C16 C11 gb_16
9395 C11 C gb_27
9396 C O gb_5
9397 C N gb_10
9398 N H gb_2
9399 N CA gb_21
9400 CA CB gb_27
9401 CA CT gb_27
9402 CB CG gb_27
9403 CG CD gb_27
9404 CD OE1 gb_6
9405 CD OE2 gb_6
9406 CT O1 gb_6
9407 CT O2 gb_6
9408 [ exclusions ]
9409 ; ai aj
9410 N1 HA3
9411 N1 C4
9412 N1 N5
9413 C2 OA4
9414 C2 C4A
9415 C2 N8
9416 NA2 HA3
9417 NA2 C4
9418 NA2 C8A
9419 N3 N5
9420 N3 C8A
9421 HA3 OA4
9422 HA3 C4A
9423 C4 N8
9424 OA4 N5
9425 OA4 C8A
9426 N10 C12
9427 N10 C16
9428 C14 C11
9429 C13 C16
9430 C13 C
9431 C15 C12
9432 C15 C
9433 [ angles ]
9434 ; ai aj ak gromos type
9435 C2 N1 C8A ga_27
9436 N1 C2 NA2 ga_27
9437 N1 C2 N3 ga_27
9438 NA2 C2 N3 ga_27
9439 C2 NA2 HA21 ga_23
9440 C2 NA2 HA22 ga_23
9441 HA21 NA2 HA22 ga_24
9442 C2 N3 HA3 ga_25
9443 C2 N3 C4 ga_27
9444 HA3 N3 C4 ga_25
9445 N3 C4 OA4 ga_27
9446 N3 C4 C4A ga_27
9447 OA4 C4 C4A ga_27
9448 C4 C4A N5 ga_27
9449 C4 C4A C8A ga_27
9450 N5 C4A C8A ga_27
9451 C4A N5 HA5 ga_25
9452 C4A N5 C6 ga_27
9453 HA5 N5 C6 ga_25
9454 N5 C6 C7 ga_8
9455 N5 C6 C9 ga_8
9456 C7 C6 C9 ga_8
9457 C6 C7 N8 ga_8
9458 C7 N8 HA8 ga_25
9459 C7 N8 C8A ga_27
9460 HA8 N8 C8A ga_25
9461 N1 C8A C4A ga_27
9462 N1 C8A N8 ga_27
9463 C4A C8A N8 ga_27
9464 C6 C9 N10 ga_15
9465 C9 N10 H10 ga_20
9466 C9 N10 C14 ga_33
9467 H10 N10 C14 ga_23
9468 N10 C14 C13 ga_27
9469 N10 C14 C15 ga_27
9470 C13 C14 C15 ga_27
9471 C14 C13 C12 ga_27
9472 C14 C15 C16 ga_27
9473 C13 C12 C11 ga_27
9474 C15 C16 C11 ga_27
9475 C12 C11 C16 ga_27
9476 C12 C11 C ga_27
9477 C16 C11 C ga_27
9478 C11 C O ga_30
9479 C11 C N ga_19
9480 O C N ga_33
9481 C N H ga_32
9482 C N CA ga_31
9483 H N CA ga_18
9484 N CA CB ga_13
9485 N CA CT ga_13
9486 CB CA CT ga_13
9487 CA CB CG ga_15
9488 CB CG CD ga_15
9489 CG CD OE1 ga_22
9490 CG CD OE2 ga_22
9491 OE1 CD OE2 ga_38
9492 CA CT O1 ga_22
9493 CA CT O2 ga_22
9494 O1 CT O2 ga_38
9495 [ impropers ]
9496 ; ai aj ak al gromos type
9497 N1 C2 N3 C4 gi_1
9498 C2 N1 N3 NA2 gi_1
9499 C2 N1 C8A C4A gi_1
9500 C2 N3 C4 C4A gi_1
9501 NA2 HA21 HA22 C2 gi_1
9502 N3 C2 C4 HA3 gi_1
9503 N3 C4 C4A C8A gi_1
9504 C4 N3 C4A OA4 gi_1
9505 C4 C4A C8A N1 gi_1
9506 C4A C4 N5 C8A gi_1
9507 C4A N5 C6 C7 gi_1
9508 N5 C4A C6 HA5 gi_1
9509 N5 C4A C8A N8 gi_1
9510 N5 C6 C7 N8 gi_1
9511 C6 N5 C7 C9 gi_1
9512 C6 C7 N8 C8A gi_1
9513 C7 N8 C8A C4A gi_1
9514 N8 C7 C8A HA8 gi_1
9515 C8A N1 C2 N3 gi_1
9516 C8A N1 N8 C4A gi_1
9517 C8A C4A N5 C6 gi_1
9518 N10 C9 C14 H10 gi_1
9519 C14 C13 C15 N10 gi_1
9520 C14 C13 C12 C11 gi_1
9521 C14 C15 C16 C11 gi_1
9522 C13 C14 C15 C16 gi_1
9523 C13 C12 C11 C16 gi_1
9524 C15 C14 C13 C12 gi_1
9525 C15 C16 C11 C12 gi_1
9526 C11 C12 C16 C gi_1
9527 C C11 N O gi_1
9528 N C CA H gi_1
9529 CA N CT CB gi_2
9530 CD OE1 OE2 CG gi_1
9531 CT CA O2 O1 gi_1
9532 [ dihedrals ]
9533 ; ai aj ak al gromos type
9534 N1 C2 NA2 HA21 gd_14
9535 N5 C6 C9 N10 gd_40
9536 C6 C9 N10 C14 gd_39
9537 C9 N10 C14 C13 gd_14
9538 C12 C11 C N gd_10
9539 C11 C N CA gd_14
9540 C N CA CT gd_39
9541 N CA CB CG gd_34
9542 N CA CT O1 gd_40
9543 CA CB CG CD gd_34
9544 CB CG CD OE1 gd_40
9546 [ TMP ]
9547 [ atoms ]
9548 N1 NR -0.36000 0
9549 C2 C 0.36000 0
9550 NA2 NT -0.83000 1
9551 HA21 H 0.41500 1
9552 HA22 H 0.41500 1
9553 N3 NR -0.36000 2
9554 C4 C 0.36000 2
9555 NA4 NT -0.83000 3
9556 HA41 H 0.41500 3
9557 HA42 H 0.41500 3
9558 C5 C 0.00000 4
9559 C6 CR1 0.00000 4
9560 C7 CH2 0.00000 4
9561 C11 C 0.00000 5
9562 C12 CR1 0.00000 5
9563 C16 CR1 0.00000 5
9564 C13 C 0.18000 6
9565 O13 OA -0.36000 6
9566 CM13 CH3 0.18000 6
9567 C15 C 0.18000 7
9568 O15 OA -0.36000 7
9569 CM15 CH3 0.18000 7
9570 C14 C 0.18000 8
9571 O14 OA -0.36000 8
9572 CM14 CH3 0.18000 8
9573 [ bonds ]
9574 N1 C2 gb_12
9575 N1 C6 gb_7
9576 C2 NA2 gb_9
9577 C2 N3 gb_12
9578 NA2 HA21 gb_2
9579 NA2 HA22 gb_2
9580 N3 C4 gb_12
9581 C4 NA4 gb_9
9582 C4 C5 gb_16
9583 NA4 HA41 gb_2
9584 NA4 HA42 gb_2
9585 C5 C6 gb_16
9586 C5 C7 gb_27
9587 C7 C11 gb_27
9588 C11 C12 gb_16
9589 C11 C16 gb_16
9590 C12 C13 gb_16
9591 C16 C15 gb_16
9592 C13 O13 gb_13
9593 C13 C14 gb_16
9594 O13 CM13 gb_18
9595 C15 O15 gb_13
9596 C15 C14 gb_16
9597 O15 CM15 gb_18
9598 C14 O14 gb_13
9599 O14 CM14 gb_18
9600 [ exclusions ]
9601 ; ai aj
9602 N1 C4
9603 N1 C7
9604 C2 NA4
9605 C2 C5
9606 NA2 C4
9607 NA2 C6
9608 N3 C6
9609 N3 C7
9610 C7 C13
9611 C7 C15
9612 C11 O13
9613 C11 O15
9614 C11 C14
9615 C12 C15
9616 C12 O14
9617 C16 C13
9618 C16 O14
9619 C13 O15
9620 O13 C15
9621 O13 O14
9622 O15 O14
9623 [ angles ]
9624 ; ai aj ak gromos type
9625 C2 N1 C6 ga_27
9626 N1 C2 NA2 ga_27
9627 N1 C2 N3 ga_27
9628 NA2 C2 N3 ga_27
9629 C2 NA2 HA21 ga_23
9630 C2 NA2 HA22 ga_23
9631 HA21 NA2 HA22 ga_24
9632 C2 N3 C4 ga_27
9633 N3 C4 NA4 ga_27
9634 N3 C4 C5 ga_27
9635 NA4 C4 C5 ga_27
9636 C4 NA4 HA41 ga_23
9637 C4 NA4 HA42 ga_23
9638 HA41 NA4 HA42 ga_24
9639 C4 C5 C6 ga_27
9640 C4 C5 C7 ga_27
9641 C6 C5 C7 ga_27
9642 N1 C6 C5 ga_27
9643 C5 C7 C11 ga_15
9644 C7 C11 C12 ga_27
9645 C7 C11 C16 ga_27
9646 C12 C11 C16 ga_27
9647 C11 C12 C13 ga_27
9648 C11 C16 C15 ga_27
9649 C12 C13 O13 ga_27
9650 C12 C13 C14 ga_27
9651 O13 C13 C14 ga_27
9652 C13 O13 CM13 ga_20
9653 C16 C15 O15 ga_27
9654 C16 C15 C14 ga_27
9655 O15 C15 C14 ga_27
9656 C15 O15 CM15 ga_20
9657 C13 C14 C15 ga_27
9658 C13 C14 O14 ga_27
9659 C15 C14 O14 ga_27
9660 C14 O14 CM14 ga_20
9661 [ impropers ]
9662 ; ai aj ak al gromos type
9663 N1 C2 N3 C4 gi_1
9664 C2 N1 N3 NA2 gi_1
9665 C2 N1 C6 C5 gi_1
9666 C2 N3 C4 C5 gi_1
9667 NA2 HA21 HA22 C2 gi_1
9668 N3 C4 C5 C6 gi_1
9669 C4 N3 C5 NA4 gi_1
9670 C4 C5 C6 N1 gi_1
9671 NA4 HA41 HA42 C4 gi_1
9672 C5 C4 C6 C7 gi_1
9673 C6 N1 C2 N3 gi_1
9674 C11 C12 C16 C7 gi_1
9675 C11 C12 C13 C14 gi_1
9676 C11 C16 C15 C14 gi_1
9677 C12 C11 C16 C15 gi_1
9678 C12 C13 C14 C15 gi_1
9679 C16 C11 C12 C13 gi_1
9680 C16 C15 C14 C13 gi_1
9681 C13 C12 O13 C14 gi_1
9682 C15 C16 O15 C14 gi_1
9683 C14 C13 O14 C15 gi_1
9684 [ dihedrals ]
9685 ; ai aj ak al gromos type
9686 N1 C2 NA2 HA21 gd_14
9687 C5 C4 NA4 HA41 gd_14
9688 C4 C5 C7 C11 gd_40
9689 C5 C7 C11 C12 gd_40
9690 C12 C13 O13 CM13 gd_11
9691 C12 C13 O13 CM13 gd_12
9692 C16 C15 O15 CM15 gd_11
9693 C16 C15 O15 CM15 gd_12
9694 C13 C14 O14 CM14 gd_11
9696 [ TMPH ]
9697 [ atoms ]
9698 N1 NR -0.28000 0
9699 HA1 H 0.28000 0
9700 C2 C 0.00000 0
9701 NA2 NT -0.83000 1
9702 HA21 H 0.41500 1
9703 HA22 H 0.41500 1
9704 N3 NR -0.36000 2
9705 C4 C 0.36000 2
9706 NA4 NT -0.83000 3
9707 HA41 H 0.41500 3
9708 HA42 H 0.41500 3
9709 C5 C 0.00000 4
9710 C6 CR1 0.00000 4
9711 C7 CH2 0.00000 4
9712 C11 C 0.00000 5
9713 C12 CR1 0.00000 5
9714 C16 CR1 0.00000 5
9715 C13 C 0.18000 6
9716 O13 OA -0.36000 6
9717 CM13 CH3 0.18000 6
9718 C15 C 0.18000 7
9719 O15 OA -0.36000 7
9720 CM15 CH3 0.18000 7
9721 C14 C 0.18000 8
9722 O14 OA -0.36000 8
9723 CM14 CH3 0.18000 8
9724 [ bonds ]
9725 N1 HA1 gb_2
9726 N1 C2 gb_17
9727 N1 C6 gb_17
9728 C2 NA2 gb_9
9729 C2 N3 gb_12
9730 NA2 HA21 gb_2
9731 NA2 HA22 gb_2
9732 N3 C4 gb_12
9733 C4 NA4 gb_9
9734 C4 C5 gb_16
9735 NA4 HA41 gb_2
9736 NA4 HA42 gb_2
9737 C5 C6 gb_16
9738 C5 C7 gb_27
9739 C7 C11 gb_27
9740 C11 C12 gb_16
9741 C11 C16 gb_16
9742 C12 C13 gb_16
9743 C16 C15 gb_16
9744 C13 O13 gb_13
9745 C13 C14 gb_16
9746 O13 CM13 gb_18
9747 C15 O15 gb_13
9748 C15 C14 gb_16
9749 O15 CM15 gb_18
9750 C14 O14 gb_13
9751 O14 CM14 gb_18
9752 [ exclusions ]
9753 ; ai aj
9754 N1 C4
9755 N1 C7
9756 HA1 NA2
9757 HA1 N3
9758 HA1 C5
9759 C2 NA4
9760 C2 C5
9761 NA2 C4
9762 NA2 C6
9763 N3 C6
9764 N3 C7
9765 NA4 C6
9766 NA4 C7
9767 C7 C13
9768 C7 C15
9769 C11 O13
9770 C11 O15
9771 C11 C14
9772 C12 C15
9773 C12 O14
9774 C16 C13
9775 C16 O14
9776 C13 O15
9777 O13 C15
9778 O13 O14
9779 O15 O14
9780 [ angles ]
9781 ; ai aj ak gromos type
9782 HA1 N1 C2 ga_25
9783 HA1 N1 C6 ga_25
9784 C2 N1 C6 ga_27
9785 N1 C2 NA2 ga_27
9786 N1 C2 N3 ga_27
9787 NA2 C2 N3 ga_27
9788 C2 NA2 HA21 ga_23
9789 C2 NA2 HA22 ga_23
9790 HA21 NA2 HA22 ga_24
9791 C2 N3 C4 ga_27
9792 N3 C4 NA4 ga_27
9793 N3 C4 C5 ga_27
9794 NA4 C4 C5 ga_27
9795 C4 NA4 HA41 ga_23
9796 C4 NA4 HA42 ga_23
9797 HA41 NA4 HA42 ga_24
9798 C4 C5 C6 ga_27
9799 C4 C5 C7 ga_27
9800 C6 C5 C7 ga_27
9801 N1 C6 C5 ga_27
9802 C5 C7 C11 ga_15
9803 C7 C11 C12 ga_27
9804 C7 C11 C16 ga_27
9805 C12 C11 C16 ga_27
9806 C11 C12 C13 ga_27
9807 C11 C16 C15 ga_27
9808 C12 C13 O13 ga_27
9809 C12 C13 C14 ga_27
9810 O13 C13 C14 ga_27
9811 C13 O13 CM13 ga_20
9812 C16 C15 O15 ga_27
9813 C16 C15 C14 ga_27
9814 O15 C15 C14 ga_27
9815 C15 O15 CM15 ga_20
9816 C13 C14 C15 ga_27
9817 C13 C14 O14 ga_27
9818 C15 C14 O14 ga_27
9819 C14 O14 CM14 ga_20
9820 [ impropers ]
9821 ; ai aj ak al gromos type
9822 N1 C2 N3 C4 gi_1
9823 N1 C2 C6 HA1 gi_1
9824 C2 N1 N3 NA2 gi_1
9825 C2 N1 C6 C5 gi_1
9826 C2 N3 C4 C5 gi_1
9827 NA2 HA21 HA22 C2 gi_1
9828 N3 C4 C5 C6 gi_1
9829 C4 N3 C5 NA4 gi_1
9830 C4 C5 C6 N1 gi_1
9831 NA4 HA41 HA42 C4 gi_1
9832 C5 C4 C6 C7 gi_1
9833 C6 N1 C2 N3 gi_1
9834 C11 C12 C16 C7 gi_1
9835 C11 C12 C13 C14 gi_1
9836 C11 C16 C15 C14 gi_1
9837 C12 C11 C16 C15 gi_1
9838 C12 C13 C14 C15 gi_1
9839 C16 C11 C12 C13 gi_1
9840 C16 C15 C14 C13 gi_1
9841 C13 C12 O13 C14 gi_1
9842 C15 C16 O15 C14 gi_1
9843 C14 C13 O14 C15 gi_1
9844 [ dihedrals ]
9845 ; ai aj ak al gromos type
9846 N1 C2 NA2 HA21 gd_14
9847 C5 C4 NA4 HA41 gd_14
9848 C4 C5 C7 C11 gd_40
9849 C5 C7 C11 C12 gd_40
9850 C12 C13 O13 CM13 gd_11
9851 C12 C13 O13 CM13 gd_12
9852 C16 C15 O15 CM15 gd_11
9853 C16 C15 O15 CM15 gd_12
9854 C13 C14 O14 CM14 gd_11
9856 [ TMPHP ]
9857 [ atoms ]
9858 N1 NR -0.36000 0
9859 HA1 H 0.36000 0
9860 C2 C 0.60000 0
9861 NA2 NT -0.73000 1
9862 HA21 H 0.41500 1
9863 HA22 H 0.41500 1
9864 N3 NR -0.36000 2
9865 C4 C 0.36000 2
9866 NA4 NT -0.83000 3
9867 HA41 H 0.41500 3
9868 HA42 H 0.41500 3
9869 C5 C 0.10000 4
9870 C6 CR1 0.20000 4
9871 C7 CH2 0.00000 4
9872 C11 C 0.00000 5
9873 C12 CR1 0.00000 5
9874 C16 CR1 0.00000 5
9875 C13 C 0.18000 6
9876 O13 OA -0.36000 6
9877 CM13 CH3 0.18000 6
9878 C15 C 0.18000 7
9879 O15 OA -0.36000 7
9880 CM15 CH3 0.18000 7
9881 C14 C 0.18000 8
9882 O14 OA -0.36000 8
9883 CM14 CH3 0.18000 8
9884 [ bonds ]
9885 N1 HA1 gb_2
9886 N1 C2 gb_17
9887 N1 C6 gb_17
9888 C2 NA2 gb_9
9889 C2 N3 gb_12
9890 NA2 HA21 gb_2
9891 NA2 HA22 gb_2
9892 N3 C4 gb_12
9893 C4 NA4 gb_9
9894 C4 C5 gb_16
9895 NA4 HA41 gb_2
9896 NA4 HA42 gb_2
9897 C5 C6 gb_16
9898 C5 C7 gb_27
9899 C7 C11 gb_27
9900 C11 C12 gb_16
9901 C11 C16 gb_16
9902 C12 C13 gb_16
9903 C16 C15 gb_16
9904 C13 O13 gb_13
9905 C13 C14 gb_16
9906 O13 CM13 gb_18
9907 C15 O15 gb_13
9908 C15 C14 gb_16
9909 O15 CM15 gb_18
9910 C14 O14 gb_13
9911 O14 CM14 gb_18
9912 [ exclusions ]
9913 ; ai aj
9914 N1 C4
9915 N1 C7
9916 HA1 NA2
9917 HA1 N3
9918 HA1 C5
9919 C2 NA4
9920 C2 C5
9921 NA2 C4
9922 NA2 C6
9923 N3 C6
9924 N3 C7
9925 NA4 C6
9926 NA4 C7
9927 C7 C13
9928 C7 C15
9929 C11 O13
9930 C11 O15
9931 C11 C14
9932 C12 C15
9933 C12 O14
9934 C16 C13
9935 C16 O14
9936 C13 O15
9937 O13 C15
9938 O13 O14
9939 O15 O14
9940 [ angles ]
9941 ; ai aj ak gromos type
9942 HA1 N1 C2 ga_25
9943 HA1 N1 C6 ga_25
9944 C2 N1 C6 ga_27
9945 N1 C2 NA2 ga_27
9946 N1 C2 N3 ga_27
9947 NA2 C2 N3 ga_27
9948 C2 NA2 HA21 ga_23
9949 C2 NA2 HA22 ga_23
9950 HA21 NA2 HA22 ga_24
9951 C2 N3 C4 ga_27
9952 N3 C4 NA4 ga_27
9953 N3 C4 C5 ga_27
9954 NA4 C4 C5 ga_27
9955 C4 NA4 HA41 ga_23
9956 C4 NA4 HA42 ga_23
9957 HA41 NA4 HA42 ga_24
9958 C4 C5 C6 ga_27
9959 C4 C5 C7 ga_27
9960 C6 C5 C7 ga_27
9961 N1 C6 C5 ga_27
9962 C5 C7 C11 ga_15
9963 C7 C11 C12 ga_27
9964 C7 C11 C16 ga_27
9965 C12 C11 C16 ga_27
9966 C11 C12 C13 ga_27
9967 C11 C16 C15 ga_27
9968 C12 C13 O13 ga_27
9969 C12 C13 C14 ga_27
9970 O13 C13 C14 ga_27
9971 C13 O13 CM13 ga_20
9972 C16 C15 O15 ga_27
9973 C16 C15 C14 ga_27
9974 O15 C15 C14 ga_27
9975 C15 O15 CM15 ga_20
9976 C13 C14 C15 ga_27
9977 C13 C14 O14 ga_27
9978 C15 C14 O14 ga_27
9979 C14 O14 CM14 ga_20
9980 [ impropers ]
9981 ; ai aj ak al gromos type
9982 N1 C2 N3 C4 gi_1
9983 N1 C2 C6 HA1 gi_1
9984 C2 N1 N3 NA2 gi_1
9985 C2 N1 C6 C5 gi_1
9986 C2 N3 C4 C5 gi_1
9987 NA2 HA21 HA22 C2 gi_1
9988 N3 C4 C5 C6 gi_1
9989 C4 N3 C5 NA4 gi_1
9990 C4 C5 C6 N1 gi_1
9991 NA4 HA41 HA42 C4 gi_1
9992 C5 C4 C6 C7 gi_1
9993 C6 N1 C2 N3 gi_1
9994 C11 C12 C16 C7 gi_1
9995 C11 C12 C13 C14 gi_1
9996 C11 C16 C15 C14 gi_1
9997 C12 C11 C16 C15 gi_1
9998 C12 C13 C14 C15 gi_1
9999 C16 C11 C12 C13 gi_1
10000 C16 C15 C14 C13 gi_1
10001 C13 C12 O13 C14 gi_1
10002 C15 C16 O15 C14 gi_1
10003 C14 C13 O14 C15 gi_1
10004 [ dihedrals ]
10005 ; ai aj ak al gromos type
10006 N1 C2 NA2 HA21 gd_14
10007 C5 C4 NA4 HA41 gd_14
10008 C4 C5 C7 C11 gd_40
10009 C5 C7 C11 C12 gd_40
10010 C12 C13 O13 CM13 gd_11
10011 C12 C13 O13 CM13 gd_12
10012 C16 C15 O15 CM15 gd_11
10013 C16 C15 O15 CM15 gd_12
10014 C13 C14 O14 CM14 gd_11
10016 [ PDG ]
10017 [ atoms ]
10018 P P 0.63000 0
10019 O1P OM -0.63500 0
10020 O2P OM -0.63500 0
10021 O3P OA -0.54800 0
10022 H3P H 0.39800 0
10023 O4P OA -0.36000 0
10024 C1 CH2 0.15000 0
10025 C2 CH1 0.15000 1
10026 O2 OA -0.54800 1
10027 H2 H 0.39800 1
10028 C3 C 0.27000 2
10029 OT1 OM -0.63500 2
10030 OT2 OM -0.63500 2
10031 [ bonds ]
10032 P O1P gb_24
10033 P O2P gb_24
10034 P O3P gb_28
10035 P O4P gb_28
10036 O3P H3P gb_1
10037 O4P C1 gb_18
10038 C1 C2 gb_27
10039 C2 O2 gb_18
10040 C2 C3 gb_27
10041 O2 H2 gb_1
10042 C3 OT1 gb_6
10043 C3 OT2 gb_6
10044 [ exclusions ]
10045 ; ai aj
10046 O1P H3P
10047 O2P H3P
10048 H3P O4P
10049 [ angles ]
10050 ; ai aj ak gromos type
10051 O1P P O2P ga_29
10052 O1P P O3P ga_14
10053 O1P P O4P ga_14
10054 O2P P O3P ga_14
10055 O2P P O4P ga_14
10056 O3P P O4P ga_5
10057 P O3P H3P ga_12
10058 P O4P C1 ga_26
10059 O4P C1 C2 ga_15
10060 C1 C2 O2 ga_15
10061 C1 C2 C3 ga_13
10062 O2 C2 C3 ga_13
10063 C2 O2 H2 ga_12
10064 C2 C3 OT1 ga_22
10065 C2 C3 OT2 ga_22
10066 OT1 C3 OT2 ga_38
10067 [ impropers ]
10068 ; ai aj ak al gromos type
10069 C2 C1 C3 O2 gi_2
10070 C3 C2 OT2 OT1 gi_1
10071 [ dihedrals ]
10072 ; ai aj ak al gromos type
10073 O4P P O3P H3P gd_19
10074 O4P P O3P H3P gd_22
10075 O3P P O4P C1 gd_19
10076 O3P P O4P C1 gd_22
10077 P O4P C1 C2 gd_29
10078 O4P C1 C2 C3 gd_34
10079 C1 C2 O2 H2 gd_23
10080 C1 C2 C3 OT1 gd_40
10082 [ ATP ]
10083 [ atoms ]
10084 AN9 NR -0.20000 0
10085 AC4 C 0.20000 0
10086 AN3 NR -0.36000 1
10087 AC2 CR1 0.36000 1
10088 AN1 NR -0.36000 2
10089 AC6 C 0.36000 2
10090 AN6 NT -0.83000 3
10091 AH61 H 0.41500 3
10092 AH62 H 0.41500 3
10093 AC5 C 0.00000 4
10094 AN7 NR -0.36000 4
10095 AC8 CR1 0.36000 4
10096 AC1* CH1 0.20000 5
10097 AO4* OA -0.36000 5
10098 AC4* CH1 0.16000 5
10099 AC2* CH1 0.15000 6
10100 AO2* OA -0.54800 6
10101 AH2* H 0.39800 6
10102 AC3* CH1 0.15000 7
10103 AO3* OA -0.54800 7
10104 AH3* H 0.39800 7
10105 AC5* CH2 0.00000 8
10106 AO5* OA -0.36000 9
10107 APA P 0.70500 9
10108 AO1A OM -0.63500 9
10109 AO2A OM -0.63500 9
10110 AO3A OA -0.36000 10
10111 APB P 0.70500 10
10112 AO1B OM -0.63500 10
10113 AO2B OM -0.63500 10
10114 AO3B OA -0.36000 11
10115 APG P 0.63000 11
10116 AO1G OM -0.63500 11
10117 AO2G OM -0.63500 11
10118 AO3G OA -0.54800 11
10119 AH3G H 0.39800 11
10120 [ bonds ]
10121 AN9 AC4 gb_10
10122 AN9 AC8 gb_10
10123 AN9 AC1* gb_22
10124 AC4 AN3 gb_12
10125 AC4 AC5 gb_16
10126 AN3 AC2 gb_7
10127 AC2 AN1 gb_7
10128 AN1 AC6 gb_12
10129 AC6 AN6 gb_9
10130 AC6 AC5 gb_16
10131 AN6 AH61 gb_2
10132 AN6 AH62 gb_2
10133 AC5 AN7 gb_10
10134 AN7 AC8 gb_10
10135 AC1* AO4* gb_20
10136 AC1* AC2* gb_26
10137 AO4* AC4* gb_20
10138 AC4* AC3* gb_26
10139 AC4* AC5* gb_26
10140 AC2* AO2* gb_20
10141 AC2* AC3* gb_26
10142 AO2* AH2* gb_1
10143 AC3* AO3* gb_20
10144 AO3* AH3* gb_1
10145 AC5* AO5* gb_20
10146 AO5* APA gb_28
10147 APA AO1A gb_24
10148 APA AO2A gb_24
10149 APA AO3A gb_28
10150 AO3A APB gb_28
10151 APB AO1B gb_24
10152 APB AO2B gb_24
10153 APB AO3B gb_28
10154 AO3B APG gb_28
10155 APG AO1G gb_24
10156 APG AO2G gb_24
10157 APG AO3G gb_28
10158 AO3G AH3G gb_1
10159 [ exclusions ]
10160 ; ai aj
10161 AN9 AC2
10162 AN9 AC6
10163 AC4 AN1
10164 AC4 AN6
10165 AN3 AC6
10166 AN3 AN7
10167 AN3 AC8
10168 AN3 AC1*
10169 AC2 AN6
10170 AC2 AC5
10171 AN1 AN7
10172 AC6 AC8
10173 AC5 AC1*
10174 AN7 AC1*
10175 AO3B AH3G
10176 AO1G AH3G
10177 AO2G AH3G
10178 [ angles ]
10179 ; ai aj ak gromos type
10180 AC4 AN9 AC8 ga_7
10181 AC4 AN9 AC1* ga_37
10182 AC8 AN9 AC1* ga_37
10183 AN9 AC4 AN3 ga_39
10184 AN9 AC4 AC5 ga_7
10185 AN3 AC4 AC5 ga_27
10186 AC4 AN3 AC2 ga_27
10187 AN3 AC2 AN1 ga_27
10188 AC2 AN1 AC6 ga_27
10189 AN1 AC6 AN6 ga_27
10190 AN1 AC6 AC5 ga_27
10191 AN6 AC6 AC5 ga_27
10192 AC6 AN6 AH61 ga_23
10193 AC6 AN6 AH62 ga_23
10194 AH61 AN6 AH62 ga_24
10195 AC4 AC5 AC6 ga_27
10196 AC4 AC5 AN7 ga_7
10197 AC6 AC5 AN7 ga_39
10198 AC5 AN7 AC8 ga_7
10199 AN9 AC8 AN7 ga_7
10200 AN9 AC1* AO4* ga_9
10201 AN9 AC1* AC2* ga_9
10202 AO4* AC1* AC2* ga_9
10203 AC1* AO4* AC4* ga_10
10204 AO4* AC4* AC3* ga_9
10205 AO4* AC4* AC5* ga_9
10206 AC3* AC4* AC5* ga_8
10207 AC1* AC2* AO2* ga_9
10208 AC1* AC2* AC3* ga_8
10209 AO2* AC2* AC3* ga_9
10210 AC2* AO2* AH2* ga_12
10211 AC4* AC3* AC2* ga_8
10212 AC4* AC3* AO3* ga_9
10213 AC2* AC3* AO3* ga_9
10214 AC3* AO3* AH3* ga_12
10215 AC4* AC5* AO5* ga_9
10216 AC5* AO5* APA ga_26
10217 AO5* APA AO1A ga_14
10218 AO5* APA AO2A ga_14
10219 AO5* APA AO3A ga_5
10220 AO1A APA AO2A ga_29
10221 AO1A APA AO3A ga_14
10222 AO2A APA AO3A ga_14
10223 APA AO3A APB ga_26
10224 AO3A APB AO1B ga_14
10225 AO3A APB AO2B ga_14
10226 AO3A APB AO3B ga_5
10227 AO1B APB AO2B ga_29
10228 AO1B APB AO3B ga_14
10229 AO2B APB AO3B ga_14
10230 APB AO3B APG ga_26
10231 AO3B APG AO1G ga_14
10232 AO3B APG AO2G ga_14
10233 AO3B APG AO3G ga_5
10234 AO1G APG AO2G ga_29
10235 AO1G APG AO3G ga_14
10236 AO2G APG AO3G ga_14
10237 APG AO3G AH3G ga_12
10238 [ impropers ]
10239 ; ai aj ak al gromos type
10240 AN9 AC4 AC5 AN7 gi_1
10241 AC4 AN9 AN3 AC5 gi_1
10242 AC4 AN9 AC8 AN7 gi_1
10243 AC4 AN3 AC2 AN1 gi_1
10244 AC4 AC5 AN7 AC8 gi_1
10245 AN3 AC4 AC5 AC6 gi_1
10246 AN3 AC2 AN1 AC6 gi_1
10247 AC2 AN1 AC6 AC5 gi_1
10248 AN1 AC6 AC5 AC4 gi_1
10249 AN6 AN1 AC5 AC6 gi_1
10250 AN6 AH61 AH62 AC6 gi_1
10251 AC5 AC4 AN3 AC2 gi_1
10252 AC5 AC6 AN7 AC4 gi_1
10253 AC5 AN7 AC8 AN9 gi_1
10254 AC8 AN9 AC4 AC5 gi_1
10255 AC1* AN9 AO4* AC2* gi_2
10256 AC1* AC4 AC8 AN9 gi_1
10257 AC4* AO4* AC5* AC3* gi_2
10258 AC2* AO2* AC3* AC1* gi_2
10259 AC3* AC2* AO3* AC4* gi_2
10260 [ dihedrals ]
10261 ; ai aj ak al gromos type
10262 AC4 AN9 AC1* AO4* gd_16
10263 AC5 AC6 AN6 AH61 gd_14
10264 AC2* AC1* AO4* AC4* gd_29
10265 AN9 AC1* AC2* AO2* gd_17
10266 AO4* AC1* AC2* AO2* gd_18
10267 AO4* AC1* AC2* AC3* gd_17
10268 AO4* AC1* AC2* AC3* gd_34
10269 AC1* AO4* AC4* AC3* gd_29
10270 AO4* AC4* AC3* AC2* gd_17
10271 AO4* AC4* AC3* AO3* gd_18
10272 AC5* AC4* AC3* AC2* gd_34
10273 AC5* AC4* AC3* AO3* gd_17
10274 AO4* AC4* AC5* AO5* gd_18
10275 AC3* AC4* AC5* AO5* gd_17
10276 AC3* AC4* AC5* AO5* gd_34
10277 AC1* AC2* AO2* AH2* gd_23
10278 AC1* AC2* AC3* AC4* gd_34
10279 AC1* AC2* AC3* AO3* gd_17
10280 AO2* AC2* AC3* AC4* gd_17
10281 AO2* AC2* AC3* AO3* gd_18
10282 AC4* AC3* AO3* AH3* gd_23
10283 AC4* AC5* AO5* APA gd_29
10284 AC5* AO5* APA AO3A gd_19
10285 AC5* AO5* APA AO3A gd_22
10286 AO5* APA AO3A APB gd_19
10287 AO5* APA AO3A APB gd_22
10288 APA AO3A APB AO3B gd_19
10289 APA AO3A APB AO3B gd_22
10290 AO3A APB AO3B APG gd_19
10291 AO3A APB AO3B APG gd_22
10292 APB AO3B APG AO3G gd_19
10293 APB AO3B APG AO3G gd_22
10294 AO3B APG AO3G AH3G gd_19
10295 AO3B APG AO3G AH3G gd_22
10297 [ PMB ]
10298 [ atoms ]
10299 PC8 CH3 0.00000 0
10300 PC5 C 0.00000 0
10301 PC4 CR1 0.00000 0
10302 PC6 CR1 0.00000 0
10303 PC3 CR1 0.00000 1
10304 PC7 CR1 0.00000 1
10305 PC2 C 0.00000 1
10306 PC1 CH0 0.00000 2
10307 PO OM -0.60000 2
10308 PHC1 HC -0.20000 2
10309 PHC2 HC -0.20000 2
10310 [ bonds ]
10311 PC8 PC5 gb_27
10312 PC5 PC4 gb_16
10313 PC5 PC6 gb_16
10314 PC4 PC3 gb_16
10315 PC6 PC7 gb_16
10316 PC3 PC2 gb_16
10317 PC7 PC2 gb_16
10318 PC2 PC1 gb_27
10319 PC1 PO gb_19
10320 PC1 PHC1 gb_3
10321 PC1 PHC2 gb_3
10322 [ exclusions ]
10323 ; ai aj
10324 PC8 PC3
10325 PC8 PC7
10326 PC5 PC2
10327 PC4 PC7
10328 PC4 PC1
10329 PC6 PC3
10330 PC6 PC1
10331 [ angles ]
10332 ; ai aj ak gromos type
10333 PC8 PC5 PC4 ga_27
10334 PC8 PC5 PC6 ga_27
10335 PC4 PC5 PC6 ga_27
10336 PC5 PC4 PC3 ga_27
10337 PC5 PC6 PC7 ga_27
10338 PC4 PC3 PC2 ga_27
10339 PC6 PC7 PC2 ga_27
10340 PC3 PC2 PC7 ga_27
10341 PC3 PC2 PC1 ga_27
10342 PC7 PC2 PC1 ga_27
10343 PC2 PC1 PO ga_13
10344 PC2 PC1 PHC1 ga_11
10345 PC2 PC1 PHC2 ga_11
10346 PO PC1 PHC1 ga_11
10347 PO PC1 PHC2 ga_11
10348 PHC1 PC1 PHC2 ga_10
10349 [ impropers ]
10350 ; ai aj ak al gromos type
10351 PC5 PC4 PC6 PC8 gi_1
10352 PC5 PC4 PC3 PC2 gi_1
10353 PC5 PC6 PC7 PC2 gi_1
10354 PC4 PC5 PC6 PC7 gi_1
10355 PC4 PC3 PC2 PC7 gi_1
10356 PC6 PC5 PC4 PC3 gi_1
10357 PC6 PC7 PC2 PC3 gi_1
10358 PC2 PC3 PC7 PC1 gi_1
10359 [ dihedrals ]
10360 ; ai aj ak al gromos type
10361 PC3 PC2 PC1 PO gd_40
10363 [ PMBH ]
10364 [ atoms ]
10365 PC8 CH3 0.00000 0
10366 PC5 C 0.00000 0
10367 PC4 CR1 0.00000 0
10368 PC6 CR1 0.00000 0
10369 PC3 CR1 0.00000 1
10370 PC7 CR1 0.00000 1
10371 PC2 C 0.00000 1
10372 PC1 CH0 -0.05000 2
10373 PO OA -0.54800 2
10374 PH H 0.39800 2
10375 PHC1 HC 0.10000 2
10376 PHC2 HC 0.10000 2
10377 [ bonds ]
10378 PC8 PC5 gb_27
10379 PC5 PC4 gb_16
10380 PC5 PC6 gb_16
10381 PC4 PC3 gb_16
10382 PC6 PC7 gb_16
10383 PC3 PC2 gb_16
10384 PC7 PC2 gb_16
10385 PC2 PC1 gb_27
10386 PC1 PO gb_13
10387 PC1 PHC1 gb_3
10388 PC1 PHC2 gb_3
10389 PO PH gb_1
10390 [ exclusions ]
10391 ; ai aj
10392 PC8 PC3
10393 PC8 PC7
10394 PC5 PC2
10395 PC4 PC7
10396 PC4 PC1
10397 PC6 PC3
10398 PC6 PC1
10399 [ angles ]
10400 ; ai aj ak gromos type
10401 PC8 PC5 PC4 ga_27
10402 PC8 PC5 PC6 ga_27
10403 PC4 PC5 PC6 ga_27
10404 PC5 PC4 PC3 ga_27
10405 PC5 PC6 PC7 ga_27
10406 PC4 PC3 PC2 ga_27
10407 PC6 PC7 PC2 ga_27
10408 PC3 PC2 PC7 ga_27
10409 PC3 PC2 PC1 ga_27
10410 PC7 PC2 PC1 ga_27
10411 PC2 PC1 PO ga_13
10412 PC2 PC1 PHC1 ga_11
10413 PC2 PC1 PHC2 ga_11
10414 PO PC1 PHC1 ga_11
10415 PO PC1 PHC2 ga_11
10416 PHC1 PC1 PHC2 ga_10
10417 PC1 PO PH ga_12
10418 [ impropers ]
10419 ; ai aj ak al gromos type
10420 PC5 PC4 PC6 PC8 gi_1
10421 PC5 PC4 PC3 PC2 gi_1
10422 PC5 PC6 PC7 PC2 gi_1
10423 PC4 PC5 PC6 PC7 gi_1
10424 PC4 PC3 PC2 PC7 gi_1
10425 PC6 PC5 PC4 PC3 gi_1
10426 PC6 PC7 PC2 PC3 gi_1
10427 PC2 PC3 PC7 PC1 gi_1
10428 [ dihedrals ]
10429 ; ai aj ak al gromos type
10430 PC3 PC2 PC1 PO gd_40
10431 PC2 PC1 PO PH gd_23
10433 [ BA ]
10434 [ atoms ]
10435 C3 C -0.10000 0
10436 H3 HC 0.10000 0
10437 C2 C -0.10000 1
10438 H2 HC 0.10000 1
10439 C4 C -0.10000 2
10440 H4 HC 0.10000 2
10441 C1 C -0.10000 3
10442 H1 HC 0.10000 3
10443 C5 C -0.10000 4
10444 H5 HC 0.10000 4
10445 C6 C 0.00000 5
10446 C7 C 0.53000 6
10447 O8 O -0.38000 6
10448 O9 OA -0.54800 6
10449 H9 H 0.39800 6
10450 [ bonds ]
10451 C3 H3 gb_3
10452 C3 C2 gb_16
10453 C3 C4 gb_16
10454 C2 H2 gb_3
10455 C2 C1 gb_16
10456 C4 H4 gb_3
10457 C4 C5 gb_16
10458 C1 H1 gb_3
10459 C1 C6 gb_16
10460 C5 H5 gb_3
10461 C5 C6 gb_16
10462 C6 C7 gb_23
10463 C7 O8 gb_5
10464 C7 O9 gb_13
10465 O9 H9 gb_1
10466 [ exclusions ]
10467 ; ai aj
10468 C3 H1
10469 C3 H5
10470 C3 C6
10471 H3 H2
10472 H3 H4
10473 H3 C1
10474 H3 C5
10475 C2 H4
10476 C2 C5
10477 C2 C7
10478 H2 C4
10479 H2 H1
10480 H2 C6
10481 C4 C1
10482 C4 C7
10483 H4 H5
10484 H4 C6
10485 C1 H5
10486 H1 C5
10487 H1 C7
10488 H5 C7
10489 [ angles ]
10490 ; ai aj ak gromos type
10491 H3 C3 C2 ga_25
10492 H3 C3 C4 ga_25
10493 C2 C3 C4 ga_27
10494 C3 C2 H2 ga_25
10495 C3 C2 C1 ga_27
10496 H2 C2 C1 ga_25
10497 C3 C4 H4 ga_25
10498 C3 C4 C5 ga_27
10499 H4 C4 C5 ga_25
10500 C2 C1 H1 ga_25
10501 C2 C1 C6 ga_27
10502 H1 C1 C6 ga_25
10503 C4 C5 H5 ga_25
10504 C4 C5 C6 ga_27
10505 H5 C5 C6 ga_25
10506 C1 C6 C5 ga_27
10507 C1 C6 C7 ga_27
10508 C5 C6 C7 ga_27
10509 C6 C7 O8 ga_30
10510 C6 C7 O9 ga_19
10511 O8 C7 O9 ga_33
10512 C7 O9 H9 ga_12
10513 [ impropers ]
10514 ; ai aj ak al gromos type
10515 C3 C2 C4 H3 gi_1
10516 C3 C2 C1 C6 gi_1
10517 C3 C4 C5 C6 gi_1
10518 C2 C3 C4 C5 gi_1
10519 C2 C1 C6 C5 gi_1
10520 H2 C3 C1 C2 gi_1
10521 C4 C3 C2 C1 gi_1
10522 C4 C5 C6 C1 gi_1
10523 H4 C3 C5 C4 gi_1
10524 C1 C2 C6 H1 gi_1
10525 C5 C4 C6 H5 gi_1
10526 C6 C1 C5 C7 gi_1
10527 C7 O8 O9 C6 gi_1
10528 [ dihedrals ]
10529 ; ai aj ak al gromos type
10530 C1 C6 C7 O9 gd_10
10531 C6 C7 O9 H9 gd_12
10533 [ RTOL ]
10534 [ atoms ]
10535 C18 CH3 0.00000 0
10536 C17 CH3 0.00000 0
10537 C1 CH0 0.00000 0
10538 C2 CH2r 0.00000 1
10539 C3 CH2r 0.00000 1
10540 C4 CH2r 0.00000 1
10541 C5 C 0.00000 2
10542 C16 CH3 0.00000 2
10543 C6 C 0.00000 2
10544 C7 CR1 0.00000 3
10545 C8 CR1 0.00000 3
10546 C9 C 0.00000 4
10547 C19 CH3 0.00000 4
10548 C10 CR1 0.00000 4
10549 C11 CR1 0.00000 5
10550 C12 CR1 0.00000 5
10551 C13 C 0.00000 6
10552 C20 CH3 0.00000 6
10553 C14 CR1 0.00000 6
10554 C15 CH2 0.15000 7
10555 O21 OA -0.54800 7
10556 H21 H 0.39800 7
10557 [ bonds ]
10558 C18 C1 gb_27
10559 C17 C1 gb_27
10560 C1 C2 gb_27
10561 C1 C6 gb_27
10562 C2 C3 gb_27
10563 C3 C4 gb_27
10564 C4 C5 gb_27
10565 C5 C16 gb_27
10566 C5 C6 gb_10
10567 C6 C7 gb_23
10568 C7 C8 gb_13
10569 C8 C9 gb_23
10570 C9 C19 gb_27
10571 C9 C10 gb_13
10572 C10 C11 gb_23
10573 C11 C12 gb_13
10574 C12 C13 gb_23
10575 C13 C20 gb_27
10576 C13 C14 gb_13
10577 C14 C15 gb_23
10578 C15 O21 gb_18
10579 O21 H21 gb_1
10580 [ angles ]
10581 ; ai aj ak gromos type
10582 C18 C1 C17 ga_13
10583 C18 C1 C2 ga_13
10584 C18 C1 C6 ga_13
10585 C17 C1 C2 ga_13
10586 C17 C1 C6 ga_13
10587 C2 C1 C6 ga_13
10588 C1 C2 C3 ga_13
10589 C2 C3 C4 ga_13
10590 C3 C4 C5 ga_13
10591 C4 C5 C16 ga_27
10592 C4 C5 C6 ga_27
10593 C16 C5 C6 ga_27
10594 C1 C6 C5 ga_27
10595 C1 C6 C7 ga_27
10596 C5 C6 C7 ga_27
10597 C6 C7 C8 ga_27
10598 C7 C8 C9 ga_27
10599 C8 C9 C19 ga_27
10600 C8 C9 C10 ga_27
10601 C19 C9 C10 ga_27
10602 C9 C10 C11 ga_27
10603 C10 C11 C12 ga_27
10604 C11 C12 C13 ga_27
10605 C12 C13 C20 ga_27
10606 C12 C13 C14 ga_27
10607 C20 C13 C14 ga_27
10608 C13 C14 C15 ga_27
10609 C14 C15 O21 ga_13
10610 C15 O21 H21 ga_12
10611 [ impropers ]
10612 ; ai aj ak al gromos type
10613 C5 C4 C6 C16 gi_1
10614 C6 C1 C7 C5 gi_1
10615 C9 C8 C10 C19 gi_1
10616 C13 C12 C14 C20 gi_1
10617 [ dihedrals ]
10618 ; ai aj ak al gromos type
10619 C6 C1 C2 C3 gd_34
10620 C2 C1 C6 C5 gd_34
10621 C1 C2 C3 C4 gd_34
10622 C2 C3 C4 C5 gd_34
10623 C3 C4 C5 C6 gd_34
10624 C4 C5 C6 C1 gd_14
10625 C5 C6 C7 C8 gd_34
10626 C6 C7 C8 C9 gd_14
10627 C7 C8 C9 C10 gd_12
10628 C8 C9 C10 C11 gd_14
10629 C9 C10 C11 C12 gd_12
10630 C10 C11 C12 C13 gd_14
10631 C11 C12 C13 C14 gd_12
10632 C12 C13 C14 C15 gd_14
10633 C13 C14 C15 O21 gd_40
10634 C14 C15 O21 H21 gd_23
10636 [ TEMP ]
10637 [ atoms ]
10638 O1 O -0.20000 0
10639 N1 NR -0.03600 0
10640 C1 CH0 0.11800 0
10641 C4 CH0 0.11800 0
10642 CA C 0.00000 1
10643 C3 CR1 0.00000 1
10644 C6 CH3 0.00000 2
10645 C7 CH3 0.00000 3
10646 C8 CH3 0.00000 4
10647 C9 CH3 0.00000 5
10648 C5 C 0.38000 6
10649 O5 O -0.38000 6
10650 [ bonds ]
10651 O1 N1 gb_6
10652 N1 C1 gb_22
10653 N1 C4 gb_22
10654 C1 CA gb_25
10655 C1 C6 gb_26
10656 C1 C7 gb_26
10657 C4 C3 gb_25
10658 C4 C8 gb_26
10659 C4 C9 gb_26
10660 CA C3 gb_7
10661 CA C5 gb_23
10662 C5 O5 gb_5
10663 C5 +N gb_10
10664 [ exclusions ]
10665 ; ai aj
10666 O1 CA
10667 O1 C3
10668 O1 C6
10669 O1 C7
10670 O1 C8
10671 O1 C9
10672 N1 C5
10673 C1 C8
10674 C1 C9
10675 C4 C6
10676 C4 C7
10677 C4 C5
10678 CA C8
10679 CA C9
10680 C3 C6
10681 C3 C7
10682 C6 C5
10683 C7 C5
10684 [ angles ]
10685 ; ai aj ak gromos type
10686 O1 N1 C1 ga_31
10687 O1 N1 C4 ga_31
10688 C1 N1 C4 ga_19
10689 N1 C1 CA ga_3
10690 N1 C1 C6 ga_13
10691 N1 C1 C7 ga_13
10692 CA C1 C6 ga_16
10693 CA C1 C7 ga_16
10694 C6 C1 C7 ga_15
10695 N1 C4 C3 ga_3
10696 N1 C4 C8 ga_13
10697 N1 C4 C9 ga_13
10698 C3 C4 C8 ga_16
10699 C3 C4 C9 ga_16
10700 C8 C4 C9 ga_15
10701 C1 CA C3 ga_16
10702 C1 CA C5 ga_31
10703 C3 CA C5 ga_35
10704 C4 C3 CA ga_16
10705 CA C5 O5 ga_30
10706 CA C5 +N ga_19
10707 O5 C5 +N ga_33
10708 [ impropers ]
10709 ; ai aj ak al gromos type
10710 N1 C1 C4 O1 gi_1
10711 N1 C1 CA C3 gi_1
10712 N1 C4 C3 CA gi_1
10713 C1 N1 C4 C3 gi_1
10714 C1 CA C3 C4 gi_1
10715 C4 N1 C1 CA gi_1
10716 CA C1 C3 C5 gi_1
10717 C5 CA +N O5 gi_1
10718 [ dihedrals ]
10719 ; ai aj ak al gromos type
10720 C3 CA C5 +N gd_14
10722 [ ETH ]
10723 [ atoms ]
10724 EO OM -0.60000 0
10725 EC1 CH2 -0.40000 0
10726 EC2 CH3 0.00000 0
10727 [ bonds ]
10728 EO EC1 gb_19
10729 EC1 EC2 gb_27
10730 [ angles ]
10731 ; ai aj ak gromos type
10732 EO EC1 EC2 ga_13
10733 [ impropers ]
10734 ; ai aj ak al gromos type
10735 [ dihedrals ]
10736 ; ai aj ak al gromos type
10738 [ ETHH ]
10739 [ atoms ]
10740 EH H 0.40300 0
10741 EO OA -0.61100 0
10742 EC1 CH2 0.20800 0
10743 EC2 CH3 0.00000 1
10744 [ bonds ]
10745 EH EO gb_1
10746 EO EC1 gb_18
10747 EC1 EC2 gb_27
10748 [ angles ]
10749 ; ai aj ak gromos type
10750 EH EO EC1 ga_12
10751 EO EC1 EC2 ga_15
10752 [ impropers ]
10753 ; ai aj ak al gromos type
10754 [ dihedrals ]
10755 ; ai aj ak al gromos type
10756 EH EO EC1 EC2 gd_23
10758 [ CH4 ]
10759 [ atoms ]
10760 CM CH4 0.00000 0
10761 [ bonds ]
10762 [ angles ]
10763 ; ai aj ak gromos type
10764 [ impropers ]
10765 ; ai aj ak al gromos type
10766 [ dihedrals ]
10767 ; ai aj ak al gromos type
10769 [ AR ]
10770 [ atoms ]
10771 AR AR 0.00000 0
10772 [ bonds ]
10773 [ angles ]
10774 ; ai aj ak gromos type
10775 [ impropers ]
10776 ; ai aj ak al gromos type
10777 [ dihedrals ]
10778 ; ai aj ak al gromos type
10780 [ SO42- ]
10781 [ atoms ]
10782 S S 0.54000 0
10783 O1 OM -0.63500 0
10784 O2 OM -0.63500 0
10785 O3 OM -0.63500 0
10786 O4 OM -0.63500 0
10787 [ bonds ]
10788 S O1 gb_25
10789 S O2 gb_25
10790 S O3 gb_25
10791 S O4 gb_25
10792 [ angles ]
10793 ; ai aj ak gromos type
10794 O1 S O2 ga_13
10795 O1 S O3 ga_13
10796 O1 S O4 ga_13
10797 O2 S O3 ga_13
10798 O2 S O4 ga_13
10799 O3 S O4 ga_13
10800 [ impropers ]
10801 ; ai aj ak al gromos type
10802 [ dihedrals ]
10803 ; ai aj ak al gromos type
10805 [ ZN ]
10806 [ atoms ]
10807 ZN ZN2+ 2.00000 0
10808 [ bonds ]
10809 [ angles ]
10810 ; ai aj ak gromos type
10811 [ impropers ]
10812 ; ai aj ak al gromos type
10813 [ dihedrals ]
10814 ; ai aj ak al gromos type
10816 [ NA ]
10817 [ atoms ]
10818 NA NA+ 1.00000 0
10819 [ bonds ]
10820 [ angles ]
10821 ; ai aj ak gromos type
10822 [ impropers ]
10823 ; ai aj ak al gromos type
10824 [ dihedrals ]
10825 ; ai aj ak al gromos type
10827 [ CL ]
10828 [ atoms ]
10829 CL CL- -1.00000 0
10830 [ bonds ]
10831 [ angles ]
10832 ; ai aj ak gromos type
10833 [ impropers ]
10834 ; ai aj ak al gromos type
10835 [ dihedrals ]
10836 ; ai aj ak al gromos type
10838 [ CA ]
10839 [ atoms ]
10840 CA CA2+ 2.00000 0
10841 [ bonds ]
10842 [ angles ]
10843 ; ai aj ak gromos type
10844 [ impropers ]
10845 ; ai aj ak al gromos type
10846 [ dihedrals ]
10847 ; ai aj ak al gromos type
10849 [ MG ]
10850 [ atoms ]
10851 MG MG2+ 2.00000 0
10852 [ bonds ]
10853 [ angles ]
10854 ; ai aj ak gromos type
10855 [ impropers ]
10856 ; ai aj ak al gromos type
10857 [ dihedrals ]
10858 ; ai aj ak al gromos type
10860 [ CU1 ]
10861 [ atoms ]
10862 CU CU1+ 1.00000 0
10863 [ bonds ]
10864 [ angles ]
10865 ; ai aj ak gromos type
10866 [ impropers ]
10867 ; ai aj ak al gromos type
10868 [ dihedrals ]
10869 ; ai aj ak al gromos type
10871 [ CU ]
10872 [ atoms ]
10873 CU CU2+ 2.00000 0
10874 [ bonds ]
10875 [ angles ]
10876 ; ai aj ak gromos type
10877 [ impropers ]
10878 ; ai aj ak al gromos type
10879 [ dihedrals ]
10880 ; ai aj ak al gromos type
10882 [ H2O ]
10883 [ atoms ]
10884 OW OW -0.82000 0
10885 HW1 H 0.41000 0
10886 HW2 H 0.41000 0
10887 [ bonds ]
10888 OW HW1 gb_38
10889 OW HW2 gb_38
10890 HW1 HW2 gb_46
10891 [ angles ]
10892 ; ai aj ak gromos type
10893 [ impropers ]
10894 ; ai aj ak al gromos type
10895 [ dihedrals ]
10896 ; ai aj ak al gromos type
10898 [ HOH ]
10899 [ atoms ]
10900 OW OW -0.82000 0
10901 HW1 H 0.41000 0
10902 HW2 H 0.41000 0
10903 [ bonds ]
10904 OW HW1 gb_38
10905 OW HW2 gb_38
10906 HW1 HW2 gb_46
10907 [ angles ]
10908 ; ai aj ak gromos type
10909 [ impropers ]
10910 ; ai aj ak al gromos type
10911 [ dihedrals ]
10912 ; ai aj ak al gromos type
10914 [ H2OE ]
10915 [ atoms ]
10916 OW OW -0.84760 0
10917 HW1 H 0.42380 0
10918 HW2 H 0.42380 0
10919 [ bonds ]
10920 OW HW1 gb_38
10921 OW HW2 gb_38
10922 HW1 HW2 gb_46
10923 [ angles ]
10924 ; ai aj ak gromos type
10925 [ impropers ]
10926 ; ai aj ak al gromos type
10927 [ dihedrals ]
10928 ; ai aj ak al gromos type
10930 [ CHCL3 ]
10931 [ atoms ]
10932 CChl CChl 0.17900 0
10933 HChl HChl 0.08200 0
10934 CLCh1 CLChl -0.08700 0
10935 CLCh2 CLChl -0.08700 0
10936 CLCh3 CLChl -0.08700 0
10937 [ bonds ]
10938 CChl CLCh1 gb_40
10939 CChl CLCh2 gb_40
10940 CChl CLCh3 gb_40
10941 HChl CLCh1 gb_47
10942 HChl CLCh2 gb_47
10943 HChl CLCh3 gb_47
10944 CLCh1 CLCh2 gb_48
10945 CLCh1 CLCh3 gb_48
10946 CLCh2 CLCh3 gb_48
10947 [ angles ]
10948 ; ai aj ak gromos type
10949 [ impropers ]
10950 ; ai aj ak al gromos type
10951 [ dihedrals ]
10952 ; ai aj ak al gromos type
10954 [ DMSO ]
10955 [ atoms ]
10956 SDmso SDmso 0.12753 0
10957 ODmso ODmso -0.44753 0
10958 CDms1 CDmso 0.16000 0
10959 CDms2 CDmso 0.16000 0
10960 [ bonds ]
10961 SDmso ODmso gb_41
10962 SDmso CDms1 gb_42
10963 SDmso CDms2 gb_42
10964 ODmso CDms1 gb_49
10965 ODmso CDms2 gb_49
10966 CDms1 CDms2 gb_50
10967 [ angles ]
10968 ; ai aj ak gromos type
10969 [ impropers ]
10970 ; ai aj ak al gromos type
10971 [ dihedrals ]
10972 ; ai aj ak al gromos type
10974 [ CH3OH ]
10975 [ atoms ]
10976 Omet OMet -0.67400 0
10977 HMet H 0.40800 0
10978 CMet CMet 0.26600 0
10979 [ bonds ]
10980 Omet HMet gb_1
10981 Omet CMet gb_27
10982 HMet CMet gb_51
10983 [ angles ]
10984 ; ai aj ak gromos type
10985 [ impropers ]
10986 ; ai aj ak al gromos type
10987 [ dihedrals ]
10988 ; ai aj ak al gromos type
10990 [ CCL4 ]
10991 [ atoms ]
10992 CCl4 CCl4 0.00000 0
10993 CLCl1 CLCl4 0.00000 0
10994 CLCl2 CLCl4 0.00000 0
10995 CLCl3 CLCl4 0.00000 0
10996 CLCl4 CLCl4 0.00000 0
10997 [ bonds ]
10998 CCl4 CLCl1 gb_43
10999 CCl4 CLCl2 gb_43
11000 CCl4 CLCl3 gb_43
11001 CCl4 CLCl4 gb_43
11002 CLCl1 CLCl2 gb_52
11003 CLCl1 CLCl3 gb_52
11004 CLCl1 CLCl4 gb_52
11005 CLCl2 CLCl3 gb_52
11006 CLCl2 CLCl4 gb_52
11007 [ angles ]
11008 ; ai aj ak gromos type
11009 [ impropers ]
11010 ; ai aj ak al gromos type
11011 [ dihedrals ]
11012 ; ai aj ak al gromos type
11014 [ TFE ]
11015 [ atoms ]
11016 HT H 0.41000 0
11017 OT OTFE -0.62500 0
11018 CH2T CHTFE 0.27300 0
11019 CT CTFE 0.45200 0
11020 F1T FTFE -0.17000 0
11021 F2T FTFE -0.17000 0
11022 F3T FTFE -0.17000 0
11023 [ bonds ]
11024 HT OT gb_1
11025 OT CH2T gb_18
11026 CH2T CT gb_27
11027 CT F1T gb_13
11028 CT F2T gb_13
11029 CT F3T gb_13
11030 [ angles ]
11031 ; ai aj ak gromos type
11032 HT OT CH2T ga_50
11033 OT CH2T CT ga_51
11034 CH2T CT F1T ga_52
11035 CH2T CT F2T ga_52
11036 CH2T CT F3T ga_52
11037 F1T CT F2T ga_49
11038 F1T CT F3T ga_49
11039 F2T CT F3T ga_49
11040 [ impropers ]
11041 ; ai aj ak al gromos type
11042 [ dihedrals ]
11043 ; ai aj ak al gromos type
11044 HT OT CH2T CT gd_24
11046 [ UREA ]
11047 [ atoms ]
11048 OU OUrea -0.39000 0
11049 CU CUrea 0.14200 0
11050 N1U NUrea -0.54200 0
11051 H11U H 0.33300 0
11052 H12U H 0.33300 0
11053 N2U NUrea -0.54200 0
11054 H21U H 0.33300 0
11055 H22U H 0.33300 0
11056 [ bonds ]
11057 OU CU gb_44
11058 CU N1U gb_45
11059 CU N2U gb_45
11060 N1U H11U gb_2
11061 N1U H12U gb_2
11062 N2U H21U gb_2
11063 N2U H22U gb_2
11064 [ exclusions ]
11065 ; ai aj
11066 OU H11U
11067 OU H12U
11068 OU H21U
11069 OU H22U
11070 N1U H21U
11071 N1U H22U
11072 H11U N2U
11073 H11U H21U
11074 H11U H22U
11075 H12U N2U
11076 H12U H21U
11077 H12U H22U
11078 [ angles ]
11079 ; ai aj ak gromos type
11080 OU CU N1U ga_54
11081 OU CU N2U ga_54
11082 N1U CU N2U ga_53
11083 CU N1U H11U ga_23
11084 CU N1U H12U ga_23
11085 H11U N1U H12U ga_24
11086 CU N2U H21U ga_23
11087 CU N2U H22U ga_23
11088 H21U N2U H22U ga_24
11089 [ impropers ]
11090 ; ai aj ak al gromos type
11091 CU N1U N2U OU gi_1
11092 N1U H11U H12U CU gi_1
11093 N2U H21U H22U CU gi_1
11094 [ dihedrals ]
11095 ; ai aj ak al gromos type
11096 OU CU N1U H11U gd_15
11097 OU CU N2U H21U gd_15